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

Systemtic Name: methyl 2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-26-19(25)13-15-5-7-17(8-6-15)22-20(27)24-11-9-23(10-12-24)18-4-2-3-16(21)14-18/h2-8,14H,9-13H2,1H3,(H,22,27)