tert-butyl 2-[(3-cyanophenyl)carbamothioylamino]ethanoate

Systemtic Name: tert-butyl 2-[(3-cyanophenyl)carbamothioylamino]ethanoate Openeye Name: tert-butyl 2-[(3-cyanophenyl)carbamothioylamino]acetate CAS Name: 2-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-cyanophenyl)carbamothioylamino]acetate Traditional Name: 2-[(3-cyanophenyl)thiocarbamoylamino]acetic acid tert-butyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-14(2,3)19-12(18)9-16-13(20)17-11-6-4-5-10(7-11)8-15/h4-7H,9H2,1-3H3,(H2,16,17,20)