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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C23H26N4O5S2 MolecularWeight: 502.60634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H26N4O5S2/c1-5-30-17-10-14(11-18(31-6-2)20(17)32-7-3)21(29)26-22(33)27-23-25-16-9-8-15(24-13(4)28)12-19(16)34-23/h8-12H,5-7H2,1-4H3,(H,24,28)(H2,25,26,27,29,33)