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

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C24H21N3O4S2/c1-29-18-12-19(30-2)21-20(13-18)33-24(25-21)27-23(32)26-22(28)16-9-6-10-17(11-16)31-14-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H2,25,26,27,28,32)