ethyl 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H23N3O3S/c1-2-26-19(25)15-7-9-16(10-8-15)21-20(27)23-13-11-22(12-14-23)17-5-3-4-6-18(17)24/h3-10,24H,2,11-14H2,1H3,(H,21,27)