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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)N(CC1=CC=C(C=C1)N(C)C)CC2=CN=CC=C2

Isomeric SMILES

CN(C)CCCNC(=S)N(CC1=CC=C(C=C1)N(C)C)CC2=CN=CC=C2

InChI

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