3-(4-butylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(4-butylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(4-butylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(4-butylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(4-butylphenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(4-butylphenyl)-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:

CCCCC1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C26H35N5S/c1-4-5-7-22-8-12-24(13-9-22)28-26(32)31(18-6-17-30-19-16-27-21-30)20-23-10-14-25(15-11-23)29(2)3/h8-16,19,21H,4-7,17-18,20H2,1-3H3,(H,28,32)