[(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-phenylethyl]-diethylazanium Traditional Name: diethyl-[(1S)-1-phenyl-2-(p-phenetylthiocarbamoylamino)ethyl]ammonium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=S)NC1=CC=C(C=C1)OCC)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=S)NC1=CC=C(C=C1)OCC)C2=CC=CC=C2

InChI

InChI=1S/C21H29N3OS/c1-4-24(5-2)20(17-10-8-7-9-11-17)16-22-21(26)23-18-12-14-19(15-13-18)25-6-3/h7-15,20H,4-6,16H2,1-3H3,(H2,22,23,26)/p+1/t20-/m1/s1