3-(5,6-dimethylbenzimidazol-1-yl)propanethioamide

Systemtic Name: 3-(5,6-dimethylbenzimidazol-1-yl)propanethioamide Openeye Name: 3-(5,6-dimethylbenzimidazol-1-yl)propanethioamide CAS Name: 3-(5,6-dimethyl-1-benzimidazolyl)propanethioamide IUPAC Name: 3-(5,6-dimethylbenzimidazol-1-yl)propanethioamide Traditional Name: 3-(5,6-dimethylbenzimidazol-1-yl)thiopropionamide Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CCC(=S)N

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CCC(=S)N

InChI

InChI=1S/C12H15N3S/c1-8-5-10-11(6-9(8)2)15(7-14-10)4-3-12(13)16/h5-7H,3-4H2,1-2H3,(H2,13,16)