ethyl 4-[[4-(3-hydroxyphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(3-hydroxyphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(3-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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