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

Systemtic Name: 4-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[4-keto-2-[[2-keto-2-(p-toluidino)ethyl]thio]quinazolin-3-yl]-N-phenethyl-butyramide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H30N4O3S/c1-21-13-15-23(16-14-21)31-27(35)20-37-29-32-25-11-6-5-10-24(25)28(36)33(29)19-7-12-26(34)30-18-17-22-8-3-2-4-9-22/h2-6,8-11,13-16H,7,12,17-20H2,1H3,(H,30,34)(H,31,35)