cyclohexyl 4-[(2-methylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(2-methylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(2-methylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(2-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(o-toluoylthiocarbamoylamino)benzoic acid cyclohexyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C22H24N2O3S/c1-15-7-5-6-10-19(15)20(25)24-22(28)23-17-13-11-16(12-14-17)21(26)27-18-8-3-2-4-9-18/h5-7,10-14,18H,2-4,8-9H2,1H3,(H2,23,24,25,28)