N-(2-methylprop-2-enyl)benzimidazole-1-carbothioamide

Systemtic Name: N-(2-methylprop-2-enyl)benzimidazole-1-carbothioamide Openeye Name: N-(2-methylallyl)benzimidazole-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-1-benzimidazolecarbothioamide IUPAC Name: N-(2-methylprop-2-enyl)benzimidazole-1-carbothioamide Traditional Name: N-(2-methylallyl)benzimidazole-1-carbothioamide Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1C=NC2=CC=CC=C21

Isomeric SMILES

CC(=C)CNC(=S)N1C=NC2=CC=CC=C21

InChI

InChI=1S/C12H13N3S/c1-9(2)7-13-12(16)15-8-14-10-5-3-4-6-11(10)15/h3-6,8H,1,7H2,2H3,(H,13,16)