methyl 2-[4-[[4-(3-hydroxyphenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[4-(3-hydroxyphenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-(3-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O

InChI

InChI=1S/C20H23N3O3S/c1-26-19(25)13-15-5-7-16(8-6-15)21-20(27)23-11-9-22(10-12-23)17-3-2-4-18(24)14-17/h2-8,14,24H,9-13H2,1H3,(H,21,27)