2-[2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]ethylazanium

Systemtic Name: 2-[2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]ethylazanium Openeye Name: 2-[[2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanylacetyl]amino]ethylammonium CAS Name: 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]ethylammonium IUPAC Name: 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]ethylazanium Traditional Name: 2-[[2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]acetyl]amino]ethylammonium Formula: C12H17ClN3O2S+ MolecularWeight: 302.80028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSCC(=O)NCC[NH3+])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSCC(=O)NCC[NH3+])Cl

InChI

InChI=1S/C12H16ClN3O2S/c13-9-1-3-10(4-2-9)16-12(18)8-19-7-11(17)15-6-5-14/h1-4H,5-8,14H2,(H,15,17)(H,16,18)/p+1