ethyl 4-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(3,4-diethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(3,4-diethoxyphenyl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-4-26-19-12-7-16(15-20(19)27-5-2)13-14-23-22(29)24-18-10-8-17(9-11-18)21(25)28-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H2,23,24,29)