N-(3-chlorophenyl)-3-cyclohexyl-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: N-(3-chlorophenyl)-3-cyclohexyl-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-3-cyclohexyl-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-3-cyclohexyl-4-oxo-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-3-cyclohexyl-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-3-cyclohexyl-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C29H26ClN3O3S MolecularWeight: 532.05304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H26ClN3O3S/c30-21-10-7-11-22(17-21)31-27(35)20-14-15-24-25(16-20)32-29(33(28(24)36)23-12-5-2-6-13-23)37-18-26(34)19-8-3-1-4-9-19/h1,3-4,7-11,14-17,23H,2,5-6,12-13,18H2,(H,31,35)