butyl-methyl-[3-[thiophen-2-ylmethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: butyl-methyl-[3-[thiophen-2-ylmethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]propyl]azanium Openeye Name: butyl-methyl-[3-[2-thienylmethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]propyl]ammonium CAS Name: butyl-methyl-[3-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]-(thiophen-2-ylmethyl)amino]propyl]ammonium IUPAC Name: butyl-methyl-[3-[thiophen-2-ylmethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]propyl]azanium Traditional Name: butyl-[3-[mesitylthiocarbamoyl(2-thenyl)amino]propyl]-methyl-ammonium Formula: C23H36N3S2+ MolecularWeight: 418.68204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCC[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C23H35N3S2/c1-6-7-11-25(5)12-9-13-26(17-21-10-8-14-28-21)23(27)24-22-19(3)15-18(2)16-20(22)4/h8,10,14-16H,6-7,9,11-13,17H2,1-5H3,(H,24,27)/p+1