1-tert-butyl-3-[(3-cyanophenyl)carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[(3-cyanophenyl)carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(3-cyanobenzoyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[(3-cyanophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(3-cyanobenzoyl)amino]thiourea Traditional Name: 1-tert-butyl-3-[(3-cyanobenzoyl)amino]thiourea Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H16N4OS/c1-13(2,3)15-12(19)17-16-11(18)10-6-4-5-9(7-10)8-14/h4-7H,1-3H3,(H,16,18)(H2,15,17,19)