cyclohexyl 2-chloranyl-5-[(2-methoxyphenyl)carbothioylamino]benzoate

Systemtic Name: cyclohexyl 2-chloranyl-5-[(2-methoxyphenyl)carbothioylamino]benzoate Openeye Name: cyclohexyl 2-chloro-5-[(2-methoxybenzenecarbothioyl)amino]benzoate CAS Name: 2-chloro-5-[[(2-methoxyphenyl)-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-chloro-5-[(2-methoxybenzenecarbothioyl)amino]benzoate Traditional Name: 2-chloro-5-[(2-methoxythiobenzoyl)amino]benzoic acid cyclohexyl ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC3CCCCC3

InChI

InChI=1S/C21H22ClNO3S/c1-25-19-10-6-5-9-16(19)20(27)23-14-11-12-18(22)17(13-14)21(24)26-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,27)