2-methyl-6-(2-methylpropanoylamino)-N-(3-methylsulfanylpropyl)-3-(phenylmethyl)benzimidazole-4-carboxamide

Systemtic Name: 2-methyl-6-(2-methylpropanoylamino)-N-(3-methylsulfanylpropyl)-3-(phenylmethyl)benzimidazole-4-carboxamide Openeye Name: 3-benzyl-2-methyl-6-(2-methylpropanoylamino)-N-(3-methylsulfanylpropyl)benzimidazole-4-carboxamide CAS Name: 2-methyl-6-[(2-methyl-1-oxopropyl)amino]-N-[3-(methylthio)propyl]-3-(phenylmethyl)-4-benzimidazolecarboxamide IUPAC Name: 3-benzyl-2-methyl-6-(2-methylpropanoylamino)-N-(3-methylsulfanylpropyl)benzimidazole-4-carboxamide Traditional Name: 3-benzyl-6-(isobutyrylamino)-2-methyl-N-[3-(methylthio)propyl]benzimidazole-4-carboxamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)NCCCSC

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)NCCCSC

InChI

InChI=1S/C24H30N4O2S/c1-16(2)23(29)27-19-13-20(24(30)25-11-8-12-31-4)22-21(14-19)26-17(3)28(22)15-18-9-6-5-7-10-18/h5-7,9-10,13-14,16H,8,11-12,15H2,1-4H3,(H,25,30)(H,27,29)