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

Systemtic Name: butyl-[3-[(4-chlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]-methyl-azanium Openeye Name: butyl-[3-[(4-chlorophenyl)carbamothioyl-(2-thienylmethyl)amino]propyl]-methyl-ammonium CAS Name: butyl-[3-[[(4-chloroanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl]-methylammonium IUPAC Name: butyl-[3-[(4-chlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]-methylazanium Traditional Name: butyl-[3-[(4-chlorophenyl)thiocarbamoyl-(2-thenyl)amino]propyl]-methyl-ammonium Formula: C20H29ClN3S2+ MolecularWeight: 411.04736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3S2/c1-3-4-12-23(2)13-6-14-24(16-19-7-5-15-26-19)20(25)22-18-10-8-17(21)9-11-18/h5,7-11,15H,3-4,6,12-14,16H2,1-2H3,(H,22,25)/p+1