3-[(4-butan-2-ylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-butan-2-ylphenyl)carbamothioylamino]benzoic acid Openeye Name: 3-[(4-sec-butylphenyl)carbamothioylamino]benzoic acid CAS Name: 3-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-butan-2-ylphenyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-sec-butylphenyl)thiocarbamoylamino]benzoic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H20N2O2S/c1-3-12(2)13-7-9-15(10-8-13)19-18(23)20-16-6-4-5-14(11-16)17(21)22/h4-12H,3H2,1-2H3,(H,21,22)(H2,19,20,23)