ethyl 4-[(3-cyanophenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[(3-cyanophenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(3-cyanophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyanophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-cyanophenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-2-19-13(18)7-4-8-16-14(20)17-12-6-3-5-11(9-12)10-15/h3,5-6,9H,2,4,7-8H2,1H3,(H2,16,17,20)