N-(2-azanylethylcarbamothioyl)-4,7-dimethyl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(2-azanylethylcarbamothioyl)-4,7-dimethyl-3H-benzimidazole-5-carboxamide Openeye Name: N-(2-aminoethylcarbamothioyl)-4,7-dimethyl-3H-benzimidazole-5-carboxamide CAS Name: N-[(2-aminoethylamino)-sulfanylidenemethyl]-4,7-dimethyl-3H-benzimidazole-5-carboxamide IUPAC Name: N-(2-aminoethylcarbamothioyl)-4,7-dimethyl-3H-benzimidazole-5-carboxamide Traditional Name: N-(2-aminoethylthiocarbamoyl)-4,7-dimethyl-3H-benzimidazole-5-carboxamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)NC(=S)NCCN)C)NC=N2

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)NC(=S)NCCN)C)NC=N2

InChI

InChI=1S/C13H17N5OS/c1-7-5-9(8(2)11-10(7)16-6-17-11)12(19)18-13(20)15-4-3-14/h5-6H,3-4,14H2,1-2H3,(H,16,17)(H2,15,18,19,20)