[(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-pyridin-3-ylethyl]-dimethylazanium Traditional Name: dimethyl-[(1S)-2-(p-phenetylthiocarbamoylamino)-1-(3-pyridyl)ethyl]ammonium Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC(C2=CN=CC=C2)[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CN=CC=C2)[NH+](C)C

InChI

InChI=1S/C18H24N4OS/c1-4-23-16-9-7-15(8-10-16)21-18(24)20-13-17(22(2)3)14-6-5-11-19-12-14/h5-12,17H,4,13H2,1-3H3,(H2,20,21,24)/p+1/t17-/m1/s1