3-methyl-N-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]phenyl]butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C21H23N3O2S/c1-14(2)12-20(26)22-16-10-8-15(9-11-16)19(25)13-27-21-23-17-6-4-5-7-18(17)24(21)3/h4-11,14H,12-13H2,1-3H3,(H,22,26)