diethyl-[3-[[(4-methoxyphenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: diethyl-[3-[[(4-methoxyphenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl]azanium Openeye Name: diethyl-[3-[[(4-methoxyphenyl)methyl-(3-pyridylmethyl)carbamothioyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[(4-methoxyphenyl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[(4-methoxyphenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[p-anisyl(3-pyridylmethyl)thiocarbamoyl]amino]propyl]ammonium Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)N(CC1=CC=C(C=C1)OC)CC2=CN=CC=C2

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)N(CC1=CC=C(C=C1)OC)CC2=CN=CC=C2

InChI

InChI=1S/C22H32N4OS/c1-4-25(5-2)15-7-14-24-22(28)26(18-20-8-6-13-23-16-20)17-19-9-11-21(27-3)12-10-19/h6,8-13,16H,4-5,7,14-15,17-18H2,1-3H3,(H,24,28)/p+1