methyl 5-[(cyclohexylcarbamothioylamino)methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[(cyclohexylcarbamothioylamino)methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(cyclohexylcarbamothioylamino)methyl]-2-methoxy-benzoate CAS Name: 5-[[[(cyclohexylamino)-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(cyclohexylcarbamothioylamino)methyl]-2-methoxybenzoate Traditional Name: 5-[(cyclohexylthiocarbamoylamino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2CCCCC2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2CCCCC2)C(=O)OC

InChI

InChI=1S/C17H24N2O3S/c1-21-15-9-8-12(10-14(15)16(20)22-2)11-18-17(23)19-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H2,18,19,23)