2-[(5,6-dimethylbenzimidazol-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 2-[(5,6-dimethylbenzimidazol-1-yl)methyl]benzenecarbothioamide Openeye Name: 2-[(5,6-dimethylbenzimidazol-1-yl)methyl]benzenecarbothioamide CAS Name: 2-[(5,6-dimethyl-1-benzimidazolyl)methyl]benzenecarbothioamide IUPAC Name: 2-[(5,6-dimethylbenzimidazol-1-yl)methyl]benzenecarbothioamide Traditional Name: 2-[(5,6-dimethylbenzimidazol-1-yl)methyl]thiobenzamide Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC3=CC=CC=C3C(=S)N

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CC3=CC=CC=C3C(=S)N

InChI

InChI=1S/C17H17N3S/c1-11-7-15-16(8-12(11)2)20(10-19-15)9-13-5-3-4-6-14(13)17(18)21/h3-8,10H,9H2,1-2H3,(H2,18,21)