tert-butyl 4-(carbamothioylamino)benzoate

Systemtic Name: tert-butyl 4-(carbamothioylamino)benzoate Openeye Name: tert-butyl 4-(carbamothioylamino)benzoate CAS Name: 4-(carbamothioylamino)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(carbamothioylamino)benzoate Traditional Name: 4-thioureidobenzoic acid tert-butyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC(=S)N

InChI

InChI=1S/C12H16N2O2S/c1-12(2,3)16-10(15)8-4-6-9(7-5-8)14-11(13)17/h4-7H,1-3H3,(H3,13,14,17)