1-[(4-dimethylaminophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-3-(1-ethylhexyl)-1-(3-morpholinopropyl)thiourea CAS Name: 1-[(4-dimethylaminophenyl)methyl]-1-[3-(4-morpholinyl)propyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-ylthiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-3-(1-ethylhexyl)-1-(3-morpholinopropyl)thiourea Formula: C25H44N4OS MolecularWeight: 448.70806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C25H44N4OS/c1-5-7-8-10-23(6-2)26-25(31)29(16-9-15-28-17-19-30-20-18-28)21-22-11-13-24(14-12-22)27(3)4/h11-14,23H,5-10,15-21H2,1-4H3,(H,26,31)