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

Systemtic Name: ethyl 3-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(2-methylsulfanylphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[2-(methylthio)phenyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-methylsulfanylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-[2-(methylthio)phenyl]piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C21H25N3O2S2/c1-3-26-20(25)16-7-6-8-17(15-16)22-21(27)24-13-11-23(12-14-24)18-9-4-5-10-19(18)28-2/h4-10,15H,3,11-14H2,1-2H3,(H,22,27)