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

Systemtic Name: 3-[2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide Openeye Name: 3-[2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-phenethyl-propanamide CAS Name: 3-[2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-phenethylpropanamide IUPAC Name: 3-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-phenethylpropanamide Traditional Name: 3-[2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-N-phenethyl-propionamide Formula: C28H27ClN4O3S MolecularWeight: 535.05698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H27ClN4O3S/c1-19-11-12-21(17-23(19)29)31-26(35)18-37-28-32-24-10-6-5-9-22(24)27(36)33(28)16-14-25(34)30-15-13-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3,(H,30,34)(H,31,35)