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

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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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)OC)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S2/c1-25-11-8-12(26-2)16-15(9-11)31-20(21-16)23-19(30)22-18(24)10-6-13(27-3)17(29-5)14(7-10)28-4/h6-9H,1-5H3,(H2,21,22,23,24,30)