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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N,3-dicyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N,3-dicyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N,3-dicyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N,3-dicyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-N,3-dicyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C29H33N5O2S MolecularWeight: 515.66962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6CCCCC6

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6CCCCC6

InChI

InChI=1S/C29H33N5O2S/c35-27(30-20-9-3-1-4-10-20)19-15-16-22-25(17-19)33-29(34(28(22)36)21-11-5-2-6-12-21)37-18-26-31-23-13-7-8-14-24(23)32-26/h7-8,13-17,20-21H,1-6,9-12,18H2,(H,30,35)(H,31,32)