azepan-2-ylidene-(4-bromophenyl)-carbamothioyl-azanium

Systemtic Name: azepan-2-ylidene-(4-bromophenyl)-carbamothioyl-azanium Openeye Name: azepan-2-ylidene-(4-bromophenyl)-carbamothioyl-ammonium CAS Name: 2-azepanylidene-(4-bromophenyl)-carbamothioylammonium IUPAC Name: azepan-2-ylidene-(4-bromophenyl)-carbamothioylazanium Traditional Name: azepan-2-ylidene-(4-bromophenyl)-thiocarbamoyl-ammonium Formula: C13H17BrN3S+ MolecularWeight: 327.26318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](C2=CC=C(C=C2)Br)C(=S)N)NCC1

Isomeric SMILES

C1CCC(=[N+](C2=CC=C(C=C2)Br)C(=S)N)NCC1

InChI

InChI=1S/C13H16BrN3S/c14-10-5-7-11(8-6-10)17(13(15)18)12-4-2-1-3-9-16-12/h5-8H,1-4,9H2,(H2,15,18)/p+1