3-bromanyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-benzamide Formula: C18H16BrN3O4S2 MolecularWeight: 482.37134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O4S2/c1-24-10-7-13(26-3)15-14(8-10)28-18(20-15)22-17(27)21-16(23)9-4-5-12(25-2)11(19)6-9/h4-8H,1-3H3,(H2,20,21,22,23,27)