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

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-phenyl-benzamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H19N3O3S2/c1-28-17-12-18(29-2)20-19(13-17)31-23(24-20)26-22(30)25-21(27)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H2,24,25,26,27,30)