3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-N-(3,5-dimethylphenyl)-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5CCCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5CCCCC5)C

InChI

InChI=1S/C31H31N3O3S/c1-20-15-21(2)17-24(16-20)32-29(36)23-13-14-26-27(18-23)33-31(34(30(26)37)25-11-7-4-8-12-25)38-19-28(35)22-9-5-3-6-10-22/h3,5-6,9-10,13-18,25H,4,7-8,11-12,19H2,1-2H3,(H,32,36)