3-(dimethylamino)propyl N'-phenyl-N-(phenylmethyl)-N-pyridin-2-yl-carbamimidothioate

Systemtic Name: 3-(dimethylamino)propyl N'-phenyl-N-(phenylmethyl)-N-pyridin-2-yl-carbamimidothioate Openeye Name: 1-benzyl-2-[3-(dimethylamino)propyl]-3-phenyl-1-(2-pyridyl)isothiourea CAS Name: N'-phenyl-N-(phenylmethyl)-N-(2-pyridinyl)carbamimidothioic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl N-benzyl-N'-phenyl-N-pyridin-2-ylcarbamimidothioate Traditional Name: 1-benzyl-2-[3-(dimethylamino)propyl]-3-phenyl-1-(2-pyridyl)isothiourea Formula: C24H28N4S MolecularWeight: 404.57092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCSC(=NC1=CC=CC=C1)N(CC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CN(C)CCCSC(=NC1=CC=CC=C1)N(CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C24H28N4S/c1-27(2)18-11-19-29-24(26-22-14-7-4-8-15-22)28(23-16-9-10-17-25-23)20-21-12-5-3-6-13-21/h3-10,12-17H,11,18-20H2,1-2H3