3-[2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-(1-isopentylbenzimidazol-2-yl)sulfanylacetyl]anilino)propanamide CAS Name: 3-(N-[2-[[1-(3-methylbutyl)-2-benzimidazolyl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(1-isoamylbenzimidazol-2-yl)thio]acetyl]anilino)propionamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-17(2)12-14-27-20-11-7-6-10-19(20)25-23(27)30-16-22(29)26(15-13-21(24)28)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H2,24,28)