methyl 3-(cyclohexylcarbamothioylamino)-4-methyl-benzoate

Systemtic Name: methyl 3-(cyclohexylcarbamothioylamino)-4-methyl-benzoate Openeye Name: methyl 3-(cyclohexylcarbamothioylamino)-4-methyl-benzoate CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(cyclohexylcarbamothioylamino)-4-methylbenzoate Traditional Name: 3-(cyclohexylthiocarbamoylamino)-4-methyl-benzoic acid methyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2CCCCC2

InChI

InChI=1S/C16H22N2O2S/c1-11-8-9-12(15(19)20-2)10-14(11)18-16(21)17-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H2,17,18,21)