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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-N-methyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzyl-3-cyclohexyl-N-methyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-cyclohexyl-N-methyl-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzyl-3-cyclohexyl-N-methyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-benzyl-3-cyclohexyl-4-keto-N-methyl-quinazoline-7-carboxamide Formula: C31H31N5O2S MolecularWeight: 537.67514

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6CCCCC6

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6CCCCC6

InChI

InChI=1S/C31H31N5O2S/c1-35(19-21-10-4-2-5-11-21)29(37)22-16-17-24-27(18-22)34-31(36(30(24)38)23-12-6-3-7-13-23)39-20-28-32-25-14-8-9-15-26(25)33-28/h2,4-5,8-11,14-18,23H,3,6-7,12-13,19-20H2,1H3,(H,32,33)