[3-[(3-carbamothioylphenyl)amino]-3-oxidanylidene-propyl]-diethyl-azanium

Systemtic Name: [3-[(3-carbamothioylphenyl)amino]-3-oxidanylidene-propyl]-diethyl-azanium Openeye Name: [3-(3-carbamothioylanilino)-3-oxo-propyl]-diethyl-ammonium CAS Name: [3-(3-carbamothioylanilino)-3-oxopropyl]-diethylammonium IUPAC Name: [3-(3-carbamothioylanilino)-3-oxopropyl]-diethylazanium Traditional Name: diethyl-[3-keto-3-(3-thiocarbamoylanilino)propyl]ammonium Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3OS/c1-3-17(4-2)9-8-13(18)16-12-7-5-6-11(10-12)14(15)19/h5-7,10H,3-4,8-9H2,1-2H3,(H2,15,19)(H,16,18)/p+1