butyl-methyl-[3-[(4-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]azanium

Systemtic Name: butyl-methyl-[3-[(4-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]azanium Openeye Name: butyl-methyl-[3-[p-tolylcarbamothioyl(2-thienylmethyl)amino]propyl]ammonium CAS Name: butyl-methyl-[3-[[(4-methylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl]ammonium IUPAC Name: butyl-methyl-[3-[(4-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]azanium Traditional Name: butyl-methyl-[3-[p-tolylthiocarbamoyl(2-thenyl)amino]propyl]ammonium Formula: C21H32N3S2+ MolecularWeight: 390.62888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCC[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=CC=C(C=C2)C

InChI

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