(2R)-N-aminocarbonyl-3-methyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-butanamide

Systemtic Name: (2R)-N-aminocarbonyl-3-methyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-butanamide Openeye Name: (2R)-2-(1-allylbenzimidazol-2-yl)sulfanyl-N-carbamoyl-3-methyl-butanamide CAS Name: (2R)-N-carbamoyl-3-methyl-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]butanamide IUPAC Name: (2R)-N-carbamoyl-3-methyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylbutanamide Traditional Name: (2R)-2-[(1-allylbenzimidazol-2-yl)thio]-N-carbamoyl-3-methyl-butyramide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC2=CC=CC=C2N1CC=C

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)SC1=NC2=CC=CC=C2N1CC=C

InChI

InChI=1S/C16H20N4O2S/c1-4-9-20-12-8-6-5-7-11(12)18-16(20)23-13(10(2)3)14(21)19-15(17)22/h4-8,10,13H,1,9H2,2-3H3,(H3,17,19,21,22)/t13-/m1/s1