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

Systemtic Name: methyl 2-[[cyclohex-3-en-1-ylmethyl(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclohex-3-en-1-ylmethyl(3-morpholinopropyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[1-cyclohex-3-enylmethyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclohex-3-en-1-ylmethyl(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclohex-3-en-1-ylmethyl(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3CCC=CC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3CCC=CC3

InChI

InChI=1S/C23H33N3O3S/c1-28-22(27)20-10-5-6-11-21(20)24-23(30)26(18-19-8-3-2-4-9-19)13-7-12-25-14-16-29-17-15-25/h2-3,5-6,10-11,19H,4,7-9,12-18H2,1H3,(H,24,30)