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

Systemtic Name: 3-[[(4-dimethylaminophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(4-dimethylaminophenyl)methyl-(3-pyridylmethyl)carbamothioyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[(4-dimethylaminophenyl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(4-dimethylaminophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl-diethylazanium Traditional Name: 3-[[[4-(dimethylamino)benzyl]-(3-pyridylmethyl)thiocarbamoyl]amino]propyl-diethyl-ammonium Formula: C23H36N5S+ MolecularWeight: 414.63044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N5S/c1-5-27(6-2)16-8-15-25-23(29)28(19-21-9-7-14-24-17-21)18-20-10-12-22(13-11-20)26(3)4/h7,9-14,17H,5-6,8,15-16,18-19H2,1-4H3,(H,25,29)/p+1