ethyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(3,4-dichlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H21Cl2N3O2S MolecularWeight: 438.37064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O2S/c1-2-27-19(26)15-5-3-4-6-18(15)23-20(28)25-11-9-24(10-12-25)14-7-8-16(21)17(22)13-14/h3-8,13H,2,9-12H2,1H3,(H,23,28)