6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-N-(2-pyridin-2-ylethyl)benzimidazole-4-carboxamide

Systemtic Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-N-(2-pyridin-2-ylethyl)benzimidazole-4-carboxamide Openeye Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-N-[2-(2-pyridyl)ethyl]benzimidazole-4-carboxamide CAS Name: 6-[[(tert-butylamino)-oxomethyl]amino]-2-[(2-methoxy-5-nitrophenyl)methylthio]-3-propyl-N-[2-(2-pyridinyl)ethyl]-4-benzimidazolecarboxamide IUPAC Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-propyl-N-(2-pyridin-2-ylethyl)benzimidazole-4-carboxamide Traditional Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-benzyl)thio]-3-propyl-N-[2-(2-pyridyl)ethyl]benzimidazole-4-carboxamide Formula: C31H37N7O5S MolecularWeight: 619.73438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2C(=O)NCCC3=CC=CC=N3)NC(=O)NC(C)(C)C)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2C(=O)NCCC3=CC=CC=N3)NC(=O)NC(C)(C)C)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C31H37N7O5S/c1-6-15-37-27-24(28(39)33-14-12-21-9-7-8-13-32-21)17-22(34-29(40)36-31(2,3)4)18-25(27)35-30(37)44-19-20-16-23(38(41)42)10-11-26(20)43-5/h7-11,13,16-18H,6,12,14-15,19H2,1-5H3,(H,33,39)(H2,34,36,40)