ethyl 3-[2-(4-ethoxy-3-methoxy-phenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[2-(4-ethoxy-3-methoxy-phenyl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[2-(4-ethoxy-3-methoxy-phenyl)ethylcarbamothioylamino]benzoate CAS Name: 3-[[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 3-[2-(4-ethoxy-3-methoxy-phenyl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=S)NC2=CC=CC(=C2)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=S)NC2=CC=CC(=C2)C(=O)OCC)OC

InChI

InChI=1S/C21H26N2O4S/c1-4-26-18-10-9-15(13-19(18)25-3)11-12-22-21(28)23-17-8-6-7-16(14-17)20(24)27-5-2/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,22,23,28)