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

Systemtic Name: 3-butan-2-yl-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-sec-butyl-thiourea CAS Name: 3-butan-2-yl-1-[(4-dimethylaminophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-butan-2-yl-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-1-(3-imidazol-1-ylpropyl)-3-sec-butyl-thiourea Formula: C20H31N5S MolecularWeight: 373.55864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5S/c1-5-17(2)22-20(26)25(13-6-12-24-14-11-21-16-24)15-18-7-9-19(10-8-18)23(3)4/h7-11,14,16-17H,5-6,12-13,15H2,1-4H3,(H,22,26)