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

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-3-hexyl-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-3-hexyl-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[(4-dimethylaminophenyl)methyl]-3-hexyl-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-3-hexyl-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-3-hexyl-1-(3-imidazol-1-ylpropyl)thiourea Formula: C22H35N5S MolecularWeight: 401.6118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N(CCCN1C=CN=C1)CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCCNC(=S)N(CCCN1C=CN=C1)CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C22H35N5S/c1-4-5-6-7-13-24-22(28)27(16-8-15-26-17-14-23-19-26)18-20-9-11-21(12-10-20)25(2)3/h9-12,14,17,19H,4-8,13,15-16,18H2,1-3H3,(H,24,28)