3-[(4-butylphenyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(4-butylphenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-butylphenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(4-butylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-butylphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(4-butylphenyl)thiocarbamoylamino]-4-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)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C19H22N2O2S/c1-3-4-5-14-7-10-16(11-8-14)20-19(24)21-17-12-15(18(22)23)9-6-13(17)2/h6-12H,3-5H2,1-2H3,(H,22,23)(H2,20,21,24)