N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetamide Formula: C24H30N4O3S2 MolecularWeight: 486.65

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2CSC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2CSC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H30N4O3S2/c1-18-11-12-19(15-22(18)33(30,31)27-13-7-3-4-8-14-27)25-24(29)16-28-21-10-6-5-9-20(21)26-23(28)17-32-2/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3,(H,25,29)