methyl 3-[[cyclohexyl(phenylcarbamothioyl)amino]methyl]-4-methoxy-benzoate

Systemtic Name: methyl 3-[[cyclohexyl(phenylcarbamothioyl)amino]methyl]-4-methoxy-benzoate Openeye Name: methyl 3-[[cyclohexyl(phenylcarbamothioyl)amino]methyl]-4-methoxy-benzoate CAS Name: 3-[[[anilino(sulfanylidene)methyl]-cyclohexylamino]methyl]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[[cyclohexyl(phenylcarbamothioyl)amino]methyl]-4-methoxybenzoate Traditional Name: 3-[[cyclohexyl(phenylthiocarbamoyl)amino]methyl]-4-methoxy-benzoic acid methyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)CN(C2CCCCC2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)CN(C2CCCCC2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-27-21-14-13-17(22(26)28-2)15-18(21)16-25(20-11-7-4-8-12-20)23(29)24-19-9-5-3-6-10-19/h3,5-6,9-10,13-15,20H,4,7-8,11-12,16H2,1-2H3,(H,24,29)