methyl 2-[4-(cyclohexylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(cyclohexylcarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-(cyclohexylcarbamothioylamino)phenyl]acetate CAS Name: 2-[4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(cyclohexylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-(cyclohexylthiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NC2CCCCC2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NC2CCCCC2

InChI

InChI=1S/C16H22N2O2S/c1-20-15(19)11-12-7-9-14(10-8-12)18-16(21)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,17,18,21)