(3-azanyl-3-sulfanylidene-propyl)-methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium

Systemtic Name: (3-azanyl-3-sulfanylidene-propyl)-methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium Openeye Name: (3-amino-3-thioxo-propyl)-(2-anilino-2-oxo-ethyl)-methyl-ammonium CAS Name: (3-amino-3-sulfanylidenepropyl)-(2-anilino-2-oxoethyl)-methylammonium IUPAC Name: (3-amino-3-sulfanylidenepropyl)-(2-anilino-2-oxoethyl)-methylazanium Traditional Name: (3-amino-3-thioxo-propyl)-(2-anilino-2-keto-ethyl)-methyl-ammonium Formula: C12H18N3OS+ MolecularWeight: 252.35582

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=S)N)CC(=O)NC1=CC=CC=C1

Isomeric SMILES

C[NH+](CCC(=S)N)CC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H17N3OS/c1-15(8-7-11(13)17)9-12(16)14-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,17)(H,14,16)/p+1