ethyl 4-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[[1-(3-cyanobenzyl)pyrazol-4-yl]thiocarbamoylamino]butyric acid ethyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H21N5O2S/c1-2-25-17(24)7-4-8-20-18(26)22-16-11-21-23(13-16)12-15-6-3-5-14(9-15)10-19/h3,5-6,9,11,13H,2,4,7-8,12H2,1H3,(H2,20,22,26)