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

Systemtic Name: 4-[2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[4-keto-2-[[2-keto-2-(m-anisidino)ethyl]thio]quinazolin-3-yl]-N-phenethyl-butyramide Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4S/c1-37-23-12-7-11-22(19-23)31-27(35)20-38-29-32-25-14-6-5-13-24(25)28(36)33(29)18-8-15-26(34)30-17-16-21-9-3-2-4-10-21/h2-7,9-14,19H,8,15-18,20H2,1H3,(H,30,34)(H,31,35)