3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]propanamide CAS Name: 3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-27-15-7-8-16-17(11-15)23-20(22-16)28-13-19(26)24(10-9-18(21)25)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H2,21,25)(H,22,23)