cyclohexyl 4-[(3-methylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(3-methylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3-methylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(m-toluoylthiocarbamoylamino)benzoic acid cyclohexyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

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