4-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]benzoic acid

Systemtic Name: 4-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[(4-butylphenyl)carbamothioyl]hydrazino]benzoic acid CAS Name: 4-[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]benzoic acid IUPAC Name: 4-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[(4-butylphenyl)thiocarbamoyl]hydrazino]benzoic acid Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H21N3O2S/c1-2-3-4-13-5-9-15(10-6-13)19-18(24)21-20-16-11-7-14(8-12-16)17(22)23/h5-12,20H,2-4H2,1H3,(H,22,23)(H2,19,21,24)