[4-[[(3-bromophenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(3-bromophenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(3-bromophenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(3-bromoanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(3-bromophenyl)carbamothioylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[(3-bromophenyl)thiocarbamoylamino]methyl]benzyl]-diethyl-ammonium Formula: C19H25BrN3S+ MolecularWeight: 407.3909

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H24BrN3S/c1-3-23(4-2)14-16-10-8-15(9-11-16)13-21-19(24)22-18-7-5-6-17(20)12-18/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,24)/p+1