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

Systemtic Name: ethyl 4-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[2-(methylthio)phenyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[2-(methylthio)phenyl]piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-3-27-20(25)16-8-10-17(11-9-16)22-21(26)24-14-12-23(13-15-24)18-6-4-5-7-19(18)28-2/h4-11H,3,12-15H2,1-2H3,(H,22,26)