ethyl 3-[(4-butylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-butylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-butylphenyl)carbamothioylamino]benzoate CAS Name: 3-[[(4-butylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-butylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-butylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-3-5-7-15-10-12-17(13-11-15)21-20(25)22-18-9-6-8-16(14-18)19(23)24-4-2/h6,8-14H,3-5,7H2,1-2H3,(H2,21,22,25)