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

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[(4-dimethylaminophenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-benzyl-1-[4-(dimethylamino)benzyl]-1-(3-imidazol-1-ylpropyl)thiourea Formula: C23H29N5S MolecularWeight: 407.57486

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H29N5S/c1-26(2)22-11-9-21(10-12-22)18-28(15-6-14-27-16-13-24-19-27)23(29)25-17-20-7-4-3-5-8-20/h3-5,7-13,16,19H,6,14-15,17-18H2,1-2H3,(H,25,29)