ethyl 4-[4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H32N4O6S MolecularWeight: 540.63118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)OCC)OCC

InChI

InChI=1S/C27H32N4O6S/c1-4-35-22-15-20-21(16-23(22)36-5-2)28-26(38)31(25(20)33)17-18-7-9-19(10-8-18)24(32)29-11-13-30(14-12-29)27(34)37-6-3/h7-10,15-16H,4-6,11-14,17H2,1-3H3,(H,28,38)