2-[(4-butylphenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-butylphenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(4-butylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(4-butylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(4-butylphenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C22H32N3S+ MolecularWeight: 370.57458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H31N3S/c1-4-5-9-19-12-14-21(15-13-19)23-22(26)25(17-16-24(2)3)18-20-10-7-6-8-11-20/h6-8,10-15H,4-5,9,16-18H2,1-3H3,(H,23,26)/p+1