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

Systemtic Name: 4-[2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-N-phenethyl-butyramide Formula: C29H29ClN4O3S MolecularWeight: 549.08356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29ClN4O3S/c1-20-13-14-22(18-24(20)30)32-27(36)19-38-29-33-25-11-6-5-10-23(25)28(37)34(29)17-7-12-26(35)31-16-15-21-8-3-2-4-9-21/h2-6,8-11,13-14,18H,7,12,15-17,19H2,1H3,(H,31,35)(H,32,36)