tert-butyl 4-[(3-cyanophenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(3-cyanophenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(3-cyanophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-cyanophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-cyanophenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-16(2,3)21-14(20)8-5-9-18-15(22)19-13-7-4-6-12(10-13)11-17/h4,6-7,10H,5,8-9H2,1-3H3,(H2,18,19,22)