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

Systemtic Name: 5-bromanyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-methoxy-benzamide Formula: C18H16BrN3O4S2 MolecularWeight: 482.37134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)11-6-9(19)4-5-12(11)25-2/h4-8H,1-3H3,(H2,20,21,22,23,27)