dimethyl-[2-[(4-propan-2-ylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-propan-2-ylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl]azanium Openeye Name: 2-[(4-isopropylphenyl)carbamothioyl-[1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]-[1-(3-pyridinyl)ethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-propan-2-ylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[p-cumenylthiocarbamoyl-[1-(3-pyridyl)ethyl]amino]ethyl]ammonium Formula: C21H31N4S+ MolecularWeight: 371.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)C(C)C2=CN=CC=C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)C(C)C2=CN=CC=C2

InChI

InChI=1S/C21H30N4S/c1-16(2)18-8-10-20(11-9-18)23-21(26)25(14-13-24(4)5)17(3)19-7-6-12-22-15-19/h6-12,15-17H,13-14H2,1-5H3,(H,23,26)/p+1