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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-(3-chlorobenzyl)-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C30H28ClN5O2S MolecularWeight: 558.09362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C30H28ClN5O2S/c31-21-8-6-7-19(15-21)17-32-28(37)20-13-14-23-26(16-20)35-30(36(29(23)38)22-9-2-1-3-10-22)39-18-27-33-24-11-4-5-12-25(24)34-27/h4-8,11-16,22H,1-3,9-10,17-18H2,(H,32,37)(H,33,34)