4-[[2-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[2-(2-chloroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-[[2-(2-chloroanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C32H33ClN4O3S MolecularWeight: 589.14742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4Cl)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4Cl)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C32H33ClN4O3S/c33-26-11-5-7-13-28(26)35-29(38)21-41-32-36-27-12-6-4-10-25(27)31(40)37(32)20-23-14-16-24(17-15-23)30(39)34-19-18-22-8-2-1-3-9-22/h1-13,23-24H,14-21H2,(H,34,39)(H,35,38)