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

Systemtic Name: butyl 4-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[2-(methylthio)phenyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[2-(methylthio)phenyl]piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-3-4-17-29-22(27)18-9-11-19(12-10-18)24-23(28)26-15-13-25(14-16-26)20-7-5-6-8-21(20)30-2/h5-12H,3-4,13-17H2,1-2H3,(H,24,28)