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

Systemtic Name: cyclohexyl 4-[(2-chlorophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(2-chlorobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(2-chlorobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-chlorobenzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O3S/c22-18-9-5-4-8-17(18)19(25)24-21(28)23-15-12-10-14(11-13-15)20(26)27-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H2,23,24,25,28)