3-(2,6-diethylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 3-(2,6-diethylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 3-(2,6-diethylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-morpholinopropyl)thiourea CAS Name: 3-(2,6-diethylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 3-(2,6-diethylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 3-(2,6-diethylphenyl)-1-[4-(dimethylamino)benzyl]-1-(3-morpholinopropyl)thiourea Formula: C27H40N4OS MolecularWeight: 468.6977

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C27H40N4OS/c1-5-23-9-7-10-24(6-2)26(23)28-27(33)31(16-8-15-30-17-19-32-20-18-30)21-22-11-13-25(14-12-22)29(3)4/h7,9-14H,5-6,8,15-21H2,1-4H3,(H,28,33)