N-cyclohexyl-2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxamide

Systemtic Name: N-cyclohexyl-2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxamide Openeye Name: N-cyclohexyl-2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxamide CAS Name: N-cyclohexyl-2-[(4-nitrophenyl)methylthio]-1-benzimidazolecarboxamide IUPAC Name: N-cyclohexyl-2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxamide Traditional Name: N-cyclohexyl-2-[(4-nitrobenzyl)thio]benzimidazole-1-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)N2C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c26-20(22-16-6-2-1-3-7-16)24-19-9-5-4-8-18(19)23-21(24)29-14-15-10-12-17(13-11-15)25(27)28/h4-5,8-13,16H,1-3,6-7,14H2,(H,22,26)