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

Systemtic Name: ethyl 4-[[(2-chlorophenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(2-chlorophenyl)methyl-(3-morpholinopropyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(2-chlorophenyl)methyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-chlorophenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(2-chlorobenzyl)-(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C24H30ClN3O3S MolecularWeight: 476.0313

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C24H30ClN3O3S/c1-2-31-23(29)19-8-10-21(11-9-19)26-24(32)28(18-20-6-3-4-7-22(20)25)13-5-12-27-14-16-30-17-15-27/h3-4,6-11H,2,5,12-18H2,1H3,(H,26,32)