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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzyl-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-cyclohexyl-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzyl-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-benzyl-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C30H29N5O2S MolecularWeight: 523.64856

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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)N=C2SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

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

InChI

InChI=1S/C30H29N5O2S/c36-28(31-18-20-9-3-1-4-10-20)21-15-16-23-26(17-21)34-30(35(29(23)37)22-11-5-2-6-12-22)38-19-27-32-24-13-7-8-14-25(24)33-27/h1,3-4,7-10,13-17,22H,2,5-6,11-12,18-19H2,(H,31,36)(H,32,33)