1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methyl-2-propan-2-yl-phenyl)thiourea

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methyl-2-propan-2-yl-phenyl)thiourea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(2-isopropyl-3-methyl-phenyl)thiourea CAS Name: 1-[(4-dimethylaminophenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-(3-methyl-2-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methyl-2-propan-2-ylphenyl)thiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-1-(3-imidazol-1-ylpropyl)-3-(2-isopropyl-3-methyl-phenyl)thiourea Formula: C26H35N5S MolecularWeight: 449.6546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)N(C)C)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)N(C)C)C(C)C

InChI

InChI=1S/C26H35N5S/c1-20(2)25-21(3)8-6-9-24(25)28-26(32)31(16-7-15-30-17-14-27-19-30)18-22-10-12-23(13-11-22)29(4)5/h6,8-14,17,19-20H,7,15-16,18H2,1-5H3,(H,28,32)