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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C17H22ClN4OS+ MolecularWeight: 365.90078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4OS/c1-12-10-14(20-23-12)11-21-6-8-22(9-7-21)17(24)19-16-5-3-4-15(18)13(16)2/h3-5,10H,6-9,11H2,1-2H3,(H,19,24)/p+1