N-(4-bromophenyl)-2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-[(cyclopentylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-(cyclopentylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H26BrN4OS+ MolecularWeight: 426.39424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H25BrN4OS/c19-14-5-7-16(8-6-14)20-17(24)13-22-9-11-23(12-10-22)18(25)21-15-3-1-2-4-15/h5-8,15H,1-4,9-13H2,(H,20,24)(H,21,25)/p+1