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

Systemtic Name: 3-bromanyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C17H14BrN3O3S2 MolecularWeight: 452.34536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C17H14BrN3O3S2/c1-23-11-7-12(24-2)14-13(8-11)26-17(19-14)21-16(25)20-15(22)9-4-3-5-10(18)6-9/h3-8H,1-2H3,(H2,19,20,21,22,25)