N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methyl-benzamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-methylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-3-methyl-benzamide Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13N3OS2/c1-10-5-4-6-11(9-10)14(20)18-15(21)19-16-17-12-7-2-3-8-13(12)22-16/h2-9H,1H3,(H2,17,18,19,20,21)