2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3-chlorophenyl)-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3-chlorophenyl)-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3-chlorophenyl)-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-(3-chlorophenyl)-3-cyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3-chlorophenyl)-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-(3-chlorophenyl)-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C29H26ClN5O2S MolecularWeight: 544.06704

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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=C2SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H26ClN5O2S/c30-19-7-6-8-20(16-19)31-27(36)18-13-14-22-25(15-18)34-29(35(28(22)37)21-9-2-1-3-10-21)38-17-26-32-23-11-4-5-12-24(23)33-26/h4-8,11-16,21H,1-3,9-10,17H2,(H,31,36)(H,32,33)