4-[2-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-[[2-(2,4-dimethoxyanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-N-phenethyl-butyramide Formula: C30H32N4O5S MolecularWeight: 560.66388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C30H32N4O5S/c1-38-22-14-15-25(26(19-22)39-2)32-28(36)20-40-30-33-24-12-7-6-11-23(24)29(37)34(30)18-8-13-27(35)31-17-16-21-9-4-3-5-10-21/h3-7,9-12,14-15,19H,8,13,16-18,20H2,1-2H3,(H,31,35)(H,32,36)