2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-keto-quinazoline-7-carboxamide Formula: C31H31N5O2S MolecularWeight: 537.67514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31N5O2S/c1-19-14-20(2)16-22(15-19)32-29(37)21-12-13-24-27(17-21)35-31(36(30(24)38)23-8-4-3-5-9-23)39-18-28-33-25-10-6-7-11-26(25)34-28/h6-7,10-17,23H,3-5,8-9,18H2,1-2H3,(H,32,37)(H,33,34)