N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-bromanyl-4-methoxy-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-bromanyl-4-methoxy-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-bromo-4-methoxy-benzamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-bromo-4-methoxybenzamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-3-bromo-4-methoxy-benzamide Formula: C16H12BrN3O2S2 MolecularWeight: 422.31938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C16H12BrN3O2S2/c1-22-12-7-6-9(8-10(12)17)14(21)19-15(23)20-16-18-11-4-2-3-5-13(11)24-16/h2-8H,1H3,(H2,18,19,20,21,23)