N-(2-chloranyl-4,6-dimethyl-phenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C18H24ClN4OS+ MolecularWeight: 379.92736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC[NH+](CC2)CC3=NOC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC[NH+](CC2)CC3=NOC(=C3)C)C

InChI

InChI=1S/C18H23ClN4OS/c1-12-8-13(2)17(16(19)9-12)20-18(25)23-6-4-22(5-7-23)11-15-10-14(3)24-21-15/h8-10H,4-7,11H2,1-3H3,(H,20,25)/p+1