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

Systemtic Name: 3-[(4-butan-2-ylphenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 4-methyl-3-[(4-sec-butylphenyl)carbamothioylamino]benzoic acid CAS Name: 3-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-butan-2-ylphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[(4-sec-butylphenyl)thiocarbamoylamino]benzoic acid Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S/c1-4-12(2)14-7-9-16(10-8-14)20-19(24)21-17-11-15(18(22)23)6-5-13(17)3/h5-12H,4H2,1-3H3,(H,22,23)(H2,20,21,24)