N-(3-bromophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-bromophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C16H20BrN4OS+ MolecularWeight: 396.3252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H19BrN4OS/c1-12-9-15(19-22-12)11-20-5-7-21(8-6-20)16(23)18-14-4-2-3-13(17)10-14/h2-4,9-10H,5-8,11H2,1H3,(H,18,23)/p+1