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

Systemtic Name: ethyl 4-[[(4-dimethylaminophenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(4-dimethylaminophenyl)methyl-(3-morpholinopropyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(4-dimethylaminophenyl)methyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-dimethylaminophenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[[4-(dimethylamino)benzyl]-(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C26H36N4O3S/c1-4-33-25(31)22-8-10-23(11-9-22)27-26(34)30(15-5-14-29-16-18-32-19-17-29)20-21-6-12-24(13-7-21)28(2)3/h6-13H,4-5,14-20H2,1-3H3,(H,27,34)