1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(3-methylsulfanylphenyl)methyl]urea

Systemtic Name: 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(3-methylsulfanylphenyl)methyl]urea Openeye Name: 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(3-methylsulfanylphenyl)methyl]urea CAS Name: 1-[[4-[(3,4-dichlorophenyl)methyl]-2-morpholinyl]methyl]-3-[[3-(methylthio)phenyl]methyl]urea IUPAC Name: 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(3-methylsulfanylphenyl)methyl]urea Traditional Name: 1-[[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl]-3-[3-(methylthio)benzyl]urea Formula: C21H25Cl2N3O2S MolecularWeight: 454.4131

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)CNC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H25Cl2N3O2S/c1-29-18-4-2-3-15(9-18)11-24-21(27)25-12-17-14-26(7-8-28-17)13-16-5-6-19(22)20(23)10-16/h2-6,9-10,17H,7-8,11-14H2,1H3,(H2,24,25,27)