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

Systemtic Name: 4-[[2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C34H38N4O3S MolecularWeight: 582.75552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5)C

InChI

InChI=1S/C34H38N4O3S/c1-23-12-17-28(20-24(23)2)36-31(39)22-42-34-37-30-11-7-6-10-29(30)33(41)38(34)21-26-13-15-27(16-14-26)32(40)35-19-18-25-8-4-3-5-9-25/h3-12,17,20,26-27H,13-16,18-19,21-22H2,1-2H3,(H,35,40)(H,36,39)