methyl 2-[[(4-methylphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(4-methylphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[3-morpholinopropyl(p-tolylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(4-methylphenyl)methyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4-methylphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(4-methylbenzyl)-(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCCN2CCOCC2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCCN2CCOCC2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H31N3O3S/c1-19-8-10-20(11-9-19)18-27(13-5-12-26-14-16-30-17-15-26)24(31)25-22-7-4-3-6-21(22)23(28)29-2/h3-4,6-11H,5,12-18H2,1-2H3,(H,25,31)