3-[(4-butylphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-butylphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[(4-butylphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-butylanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[(4-butylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(4-butylphenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H34N3S+ MolecularWeight: 384.60116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3S/c1-4-5-10-20-13-15-22(16-14-20)24-23(27)26(18-9-17-25(2)3)19-21-11-7-6-8-12-21/h6-8,11-16H,4-5,9-10,17-19H2,1-3H3,(H,24,27)/p+1