[2-[4-[[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]-3-[3-(phenylcarbonylsulfanyl)propanoyl]-1,3-thiazolidin-2-yl]phenyl] ethanoate

Systemtic Name: [2-[4-[[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]-3-[3-(phenylcarbonylsulfanyl)propanoyl]-1,3-thiazolidin-2-yl]phenyl] ethanoate Openeye Name: [2-[3-(3-benzoylsulfanylpropanoyl)-4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]thiazolidin-2-yl]phenyl] acetate CAS Name: acetic acid [2-[3-[3-(benzoylthio)-1-oxopropyl]-4-[[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-6,7-dimethoxy-4-quinazolinyl]amino]-oxomethyl]-2-thiazolidinyl]phenyl] ester IUPAC Name: [2-[3-(3-benzoylsulfanylpropanoyl)-4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-yl]carbamoyl]-1,3-thiazolidin-2-yl]phenyl] acetate Traditional Name: acetic acid [2-[3-[3-(benzoylthio)propanoyl]-4-[[2-[4-(2-furoyl)piperazino]-6,7-dimethoxy-quinazolin-4-yl]carbamoyl]thiazolidin-2-yl]phenyl] ester Formula: C41H40N6O9S2 MolecularWeight: 824.9211

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C2N(C(CS2)C(=O)NC3=NC(=NC4=CC(=C(C=C43)OC)OC)N5CCN(CC5)C(=O)C6=CC=CO6)C(=O)CCSC(=O)C7=CC=CC=C7

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C2N(C(CS2)C(=O)NC3=NC(=NC4=CC(=C(C=C43)OC)OC)N5CCN(CC5)C(=O)C6=CC=CO6)C(=O)CCSC(=O)C7=CC=CC=C7

InChI

InChI=1S/C41H40N6O9S2/c1-25(48)56-31-13-8-7-12-27(31)39-47(35(49)15-21-57-40(52)26-10-5-4-6-11-26)30(24-58-39)37(50)43-36-28-22-33(53-2)34(54-3)23-29(28)42-41(44-36)46-18-16-45(17-19-46)38(51)32-14-9-20-55-32/h4-14,20,22-23,30,39H,15-19,21,24H2,1-3H3,(H,42,43,44,50)