S-[3-[4-[[6,7-dimethoxy-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]quinazolin-4-yl]carbamoyl]-1,3-thiazolidin-3-yl]-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-[4-[[6,7-dimethoxy-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]quinazolin-4-yl]carbamoyl]-1,3-thiazolidin-3-yl]-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[4-[[6,7-dimethoxy-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]quinazolin-4-yl]carbamoyl]thiazolidin-3-yl]-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[4-[[[6,7-dimethoxy-2-[4-(1-oxo-2-phenoxypropyl)-1-piperazinyl]-4-quinazolinyl]amino]-oxomethyl]-3-thiazolidinyl]-3-oxopropyl] ester IUPAC Name: S-[3-[4-[[6,7-dimethoxy-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]quinazolin-4-yl]carbamoyl]-1,3-thiazolidin-3-yl]-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[4-[[6,7-dimethoxy-2-[4-(2-phenoxypropanoyl)piperazino]quinazolin-4-yl]carbamoyl]thiazolidin-3-yl]-3-keto-propyl] ester Formula: C32H38N6O7S2 MolecularWeight: 682.81012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC(=O)C4CSCN4C(=O)CCSC(=O)C)OC)OC)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC(=O)C4CSCN4C(=O)CCSC(=O)C)OC)OC)OC5=CC=CC=C5

InChI

InChI=1S/C32H38N6O7S2/c1-20(45-22-8-6-5-7-9-22)31(42)36-11-13-37(14-12-36)32-33-24-17-27(44-4)26(43-3)16-23(24)29(35-32)34-30(41)25-18-46-19-38(25)28(40)10-15-47-21(2)39/h5-9,16-17,20,25H,10-15,18-19H2,1-4H3,(H,33,34,35,41)