N-(4-bromophenyl)-2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-[(2,3-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-[(2,3-dimethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H26BrN4OS+ MolecularWeight: 462.42634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H25BrN4OS/c1-15-4-3-5-19(16(15)2)24-21(28)26-12-10-25(11-13-26)14-20(27)23-18-8-6-17(22)7-9-18/h3-9H,10-14H2,1-2H3,(H,23,27)(H,24,28)/p+1