N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-5-bromo-2-methoxy-3-methyl-benzamide Formula: C17H14BrN3O2S2 MolecularWeight: 436.34596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C17H14BrN3O2S2/c1-9-7-10(18)8-11(14(9)23-2)15(22)20-16(24)21-17-19-12-5-3-4-6-13(12)25-17/h3-8H,1-2H3,(H2,19,20,21,22,24)