diethyl-[(1S)-2-(phenethylcarbamothioylamino)-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-(phenethylcarbamothioylamino)-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-(phenethylcarbamothioylamino)-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[(phenethylamino)-sulfanylidenemethyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-(phenethylcarbamothioylamino)-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-(phenethylthiocarbamoylamino)-1-phenyl-ethyl]ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=S)NCCC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=S)NCCC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H29N3S/c1-3-24(4-2)20(19-13-9-6-10-14-19)17-23-21(25)22-16-15-18-11-7-5-8-12-18/h5-14,20H,3-4,15-17H2,1-2H3,(H2,22,23,25)/p+1/t20-/m1/s1