3-[(3-bromophenyl)carbamothioylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(3-bromophenyl)carbamothioylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(3-bromophenyl)carbamothioylamino]propyl]-methyl-ammonium CAS Name: 3-[[(3-bromoanilino)-sulfanylidenemethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(3-bromophenyl)carbamothioylamino]propyl]-methylazanium Traditional Name: benzyl-[3-[(3-bromophenyl)thiocarbamoylamino]propyl]-methyl-ammonium Formula: C18H23BrN3S+ MolecularWeight: 393.36432

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=S)NC1=CC(=CC=C1)Br)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=S)NC1=CC(=CC=C1)Br)CC2=CC=CC=C2

InChI

InChI=1S/C18H22BrN3S/c1-22(14-15-7-3-2-4-8-15)12-6-11-20-18(23)21-17-10-5-9-16(19)13-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H2,20,21,23)/p+1