3-[(4-butylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-butylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-butylphenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-butylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-butylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-butylphenyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C21H32N3S2+ MolecularWeight: 390.62888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2

InChI

InChI=1S/C21H31N3S2/c1-4-5-8-18-10-12-19(13-11-18)22-21(25)24(15-7-14-23(2)3)17-20-9-6-16-26-20/h6,9-13,16H,4-5,7-8,14-15,17H2,1-3H3,(H,22,25)/p+1