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

Systemtic Name: ethyl 4-[[2-(3,4-diethoxyphenyl)ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(3,4-diethoxyphenyl)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(3,4-diethoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(3,4-diethoxyphenyl)acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(3,4-diethoxyphenyl)acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-4-28-18-12-7-15(13-19(18)29-5-2)14-20(26)24-25-22(31)23-17-10-8-16(9-11-17)21(27)30-6-3/h7-13H,4-6,14H2,1-3H3,(H,24,26)(H2,23,25,31)