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

Systemtic Name: 3-[(3-bromophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-bromophenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-bromoanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-bromophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-bromophenyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C17H23BrN3S2+ MolecularWeight: 413.41862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3S2/c1-20(2)9-5-10-21(13-16-8-4-11-23-16)17(22)19-15-7-3-6-14(18)12-15/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3,(H,19,22)/p+1