3-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide CAS Name: 3-[[1-oxo-2-[(1-phenyl-2-benzimidazolyl)thio]ethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(1-phenylbenzimidazol-2-yl)thio]acetyl]amino]propionamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c26-23(30)15-16-28(17-19-9-3-1-4-10-19)24(31)18-32-25-27-21-13-7-8-14-22(21)29(25)20-11-5-2-6-12-20/h1-14H,15-18H2,(H2,26,30)