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

Systemtic Name: 4-[[(4-butan-2-ylphenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(4-sec-butylphenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-butan-2-ylphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(4-sec-butylphenyl)thiocarbamoylamino]methyl]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)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H22N2O2S/c1-3-13(2)15-8-10-17(11-9-15)21-19(24)20-12-14-4-6-16(7-5-14)18(22)23/h4-11,13H,3,12H2,1-2H3,(H,22,23)(H2,20,21,24)