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

Systemtic Name: methyl 2-[[(4-chlorophenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(4-chlorophenyl)methyl-(3-morpholinopropyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(4-chlorophenyl)methyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4-chlorophenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(4-chlorobenzyl)-(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O3S/c1-29-22(28)20-5-2-3-6-21(20)25-23(31)27(17-18-7-9-19(24)10-8-18)12-4-11-26-13-15-30-16-14-26/h2-3,5-10H,4,11-17H2,1H3,(H,25,31)