methyl 2-[[cyclohex-3-en-1-ylmethyl(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclohex-3-en-1-ylmethyl(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclohex-3-en-1-ylmethyl(2-morpholinoethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[1-cyclohex-3-enylmethyl-[2-(4-morpholinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclohex-3-en-1-ylmethyl(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclohex-3-en-1-ylmethyl(2-morpholinoethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CCN2CCOCC2)CC3CCC=CC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CCN2CCOCC2)CC3CCC=CC3

InChI

InChI=1S/C22H31N3O3S/c1-27-21(26)19-9-5-6-10-20(19)23-22(29)25(17-18-7-3-2-4-8-18)12-11-24-13-15-28-16-14-24/h2-3,5-6,9-10,18H,4,7-8,11-17H2,1H3,(H,23,29)