ethyl 4-[[1-(phenylsulfanylmethyl)pyrazol-4-yl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[[1-(phenylsulfanylmethyl)pyrazol-4-yl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[1-(phenylsulfanylmethyl)pyrazol-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[1-[(phenylthio)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(phenylsulfanylmethyl)pyrazol-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[[1-[(phenylthio)methyl]pyrazol-4-yl]thiocarbamoylamino]butyric acid ethyl ester Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CSC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O2S2/c1-2-23-16(22)9-6-10-18-17(24)20-14-11-19-21(12-14)13-25-15-7-4-3-5-8-15/h3-5,7-8,11-12H,2,6,9-10,13H2,1H3,(H2,18,20,24)