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

Systemtic Name: 3-(2,6-diethylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(2,6-diethylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(2,6-diethylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(2,6-diethylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(2,6-diethylphenyl)-1-[4-(dimethylamino)benzyl]-1-(3-imidazol-1-ylpropyl)thiourea Formula: C26H35N5S MolecularWeight: 449.6546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C26H35N5S/c1-5-22-9-7-10-23(6-2)25(22)28-26(32)31(17-8-16-30-18-15-27-20-30)19-21-11-13-24(14-12-21)29(3)4/h7,9-15,18,20H,5-6,8,16-17,19H2,1-4H3,(H,28,32)