methyl 4-[[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(2-ethoxy-2-oxo-ethyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-ethoxy-2-oxoethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-ethoxy-2-oxoethyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-ethoxy-2-keto-ethyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H23N3O4S/c1-3-24-15(21)12-19-8-10-20(11-9-19)17(25)18-14-6-4-13(5-7-14)16(22)23-2/h4-7H,3,8-12H2,1-2H3,(H,18,25)