4-[[(4-butylphenyl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-butylphenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(4-butylphenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(4-butylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-butylphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(4-butylphenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

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