[3-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]-dimethyl-azanium

Systemtic Name: [3-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]-dimethyl-azanium Openeye Name: [3-[2-[(4-butylphenyl)carbamothioyl]hydrazino]-3-oxo-propyl]-dimethyl-ammonium CAS Name: [3-[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-3-oxopropyl]-dimethylammonium IUPAC Name: [3-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-oxopropyl]-dimethylazanium Traditional Name: [3-[N'-[(4-butylphenyl)thiocarbamoyl]hydrazino]-3-keto-propyl]-dimethyl-ammonium Formula: C16H27N4OS+ MolecularWeight: 323.47678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC[NH+](C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC[NH+](C)C

InChI

InChI=1S/C16H26N4OS/c1-4-5-6-13-7-9-14(10-8-13)17-16(22)19-18-15(21)11-12-20(2)3/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)(H2,17,19,22)/p+1