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

Systemtic Name: dimethyl-[2-[(4-phenoxyphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-phenoxyphenyl)carbamothioyl-[1-(3-pyridyl)ethyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[(4-phenoxyanilino)-sulfanylidenemethyl]-[1-(3-pyridinyl)ethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-phenoxyphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[(4-phenoxyphenyl)thiocarbamoyl-[1-(3-pyridyl)ethyl]amino]ethyl]ammonium Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)N(CC[NH+](C)C)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C1=CN=CC=C1)N(CC[NH+](C)C)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H28N4OS/c1-19(20-8-7-15-25-18-20)28(17-16-27(2)3)24(30)26-21-11-13-23(14-12-21)29-22-9-5-4-6-10-22/h4-15,18-19H,16-17H2,1-3H3,(H,26,30)/p+1