3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(4-isopropylbenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 3-(cumoylthiocarbamoylamino)benzoate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H18N2O3S/c1-11(2)12-6-8-13(9-7-12)16(21)20-18(24)19-15-5-3-4-14(10-15)17(22)23/h3-11H,1-2H3,(H,22,23)(H2,19,20,21,24)/p-1