N-[(1,3-benzothiazol-2-ylcarbonylamino)carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[(1,3-benzothiazol-2-ylcarbonylamino)carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[(1,3-benzothiazole-2-carbonylamino)carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[[1,3-benzothiazol-2-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[(1,3-benzothiazole-2-carbonylamino)carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[(1,3-benzothiazole-2-carbonylamino)thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NNC(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NNC(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N4O4S2/c1-25-11-7-5-8-12(26-2)14(11)15(23)20-18(27)22-21-16(24)17-19-10-6-3-4-9-13(10)28-17/h3-9H,1-2H3,(H,21,24)(H2,20,22,23,27)