methyl 4-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(2-chlorobenzoyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-chlorobenzoyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(2-chlorobenzoyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C17H22ClN3O3S MolecularWeight: 383.89288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H22ClN3O3S/c1-24-15(22)7-4-8-19-17(25)21-11-9-20(10-12-21)16(23)13-5-2-3-6-14(13)18/h2-3,5-6H,4,7-12H2,1H3,(H,19,25)