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

Systemtic Name: [3-(dimethylamino)-2-methyl-propyl] N'-phenyl-N-(phenylmethyl)-N-pyridin-2-yl-carbamimidothioate Openeye Name: 1-benzyl-2-[3-(dimethylamino)-2-methyl-propyl]-3-phenyl-1-(2-pyridyl)isothiourea CAS Name: N'-phenyl-N-(phenylmethyl)-N-(2-pyridinyl)carbamimidothioic acid [3-(dimethylamino)-2-methylpropyl] ester IUPAC Name: [3-(dimethylamino)-2-methylpropyl] N-benzyl-N'-phenyl-N-pyridin-2-ylcarbamimidothioate Traditional Name: 1-benzyl-2-[3-(dimethylamino)-2-methyl-propyl]-3-phenyl-1-(2-pyridyl)isothiourea Formula: C25H30N4S MolecularWeight: 418.5975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4S/c1-21(18-28(2)3)20-30-25(27-23-14-8-5-9-15-23)29(24-16-10-11-17-26-24)19-22-12-6-4-7-13-22/h4-17,21H,18-20H2,1-3H3