diethyl-[(2S)-3-[(4-methoxyphenyl)carbonylcarbamothioylamino]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[(4-methoxyphenyl)carbonylcarbamothioylamino]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[(4-methoxybenzoyl)carbamothioylamino]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[(4-methoxybenzoyl)carbamothioylamino]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-(p-anisoylthiocarbamoylamino)propyl]ammonium Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(CNC(=S)NC(=O)C1=CC=C(C=C1)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@H](CNC(=S)NC(=O)C1=CC=C(C=C1)OC)O

InChI

InChI=1S/C16H25N3O3S/c1-4-19(5-2)11-13(20)10-17-16(23)18-15(21)12-6-8-14(22-3)9-7-12/h6-9,13,20H,4-5,10-11H2,1-3H3,(H2,17,18,21,23)/p+1/t13-/m0/s1