N-(3-bromophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-bromophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C16H19BrN3S2+ MolecularWeight: 397.37616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H18BrN3S2/c17-14-2-1-3-15(10-14)18-16(21)20-7-5-19(6-8-20)11-13-4-9-22-12-13/h1-4,9-10,12H,5-8,11H2,(H,18,21)/p+1