N-[(2,5-dimethylphenyl)carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[(2,5-dimethylphenyl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(2,5-dimethylphenyl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[(2,5-dimethylanilino)-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(2,5-dimethylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(2,5-dimethylphenyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C22H28N2O4S/c1-6-26-18-12-16(13-19(27-7-2)20(18)28-8-3)21(25)24-22(29)23-17-11-14(4)9-10-15(17)5/h9-13H,6-8H2,1-5H3,(H2,23,24,25,29)