methyl 4-[(tert-butylcarbamothioylamino)carbamoyl]benzoate

Systemtic Name: methyl 4-[(tert-butylcarbamothioylamino)carbamoyl]benzoate Openeye Name: methyl 4-[(tert-butylcarbamothioylamino)carbamoyl]benzoate CAS Name: 4-[[[(tert-butylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(tert-butylcarbamothioylamino)carbamoyl]benzoate Traditional Name: 4-[(tert-butylthiocarbamoylamino)carbamoyl]benzoic acid methyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-14(2,3)15-13(21)17-16-11(18)9-5-7-10(8-6-9)12(19)20-4/h5-8H,1-4H3,(H,16,18)(H2,15,17,21)