N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-5-27-17-10-13(11-18(28-6-2)19(17)29-7-3)20(25)24-21(30)23-14-8-9-16(26-4)15(22)12-14/h8-12H,5-7H2,1-4H3,(H2,23,24,25,30)