cyclohexyl 4-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,4-dimethylbenzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-15-8-9-18(14-16(15)2)21(26)25-23(29)24-19-12-10-17(11-13-19)22(27)28-20-6-4-3-5-7-20/h8-14,20H,3-7H2,1-2H3,(H2,24,25,26,29)