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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C18H24ClN4OS2+ MolecularWeight: 411.99236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClN4OS2/c1-14-12-16(21-24-14)13-22-7-9-23(10-8-22)18(25)20-6-11-26-17-4-2-15(19)3-5-17/h2-5,12H,6-11,13H2,1H3,(H,20,25)/p+1