methyl 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[(4-o-phenetylpiperazine-1-carbothioyl)amino]butyric acid methyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCC(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C18H27N3O3S/c1-3-24-16-8-5-4-7-15(16)20-11-13-21(14-12-20)18(25)19-10-6-9-17(22)23-2/h4-5,7-8H,3,6,9-14H2,1-2H3,(H,19,25)