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

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C23H27N3O6S2 MolecularWeight: 505.60698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC

InChI

InChI=1S/C23H27N3O6S2/c1-6-30-16-9-13(10-17(31-7-2)20(16)32-8-3)21(27)25-22(33)26-23-24-19-15(29-5)11-14(28-4)12-18(19)34-23/h9-12H,6-8H2,1-5H3,(H2,24,25,26,27,33)