1-[(4-dimethylaminophenyl)methyl]-3-[3-(dimethylamino)propyl]-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-3-[3-(dimethylamino)propyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-3-[3-(dimethylamino)propyl]-1-(2-pyridylmethyl)thiourea CAS Name: 1-[(4-dimethylaminophenyl)methyl]-3-[3-(dimethylamino)propyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-3-[3-(dimethylamino)propyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-3-[3-(dimethylamino)propyl]-1-(2-pyridylmethyl)thiourea Formula: C21H31N5S MolecularWeight: 385.56934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)N(CC1=CC=C(C=C1)N(C)C)CC2=CC=CC=N2

Isomeric SMILES

CN(C)CCCNC(=S)N(CC1=CC=C(C=C1)N(C)C)CC2=CC=CC=N2

InChI

InChI=1S/C21H31N5S/c1-24(2)15-7-14-23-21(27)26(17-19-8-5-6-13-22-19)16-18-9-11-20(12-10-18)25(3)4/h5-6,8-13H,7,14-17H2,1-4H3,(H,23,27)