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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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