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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24N4O2S/c1-14-11-16(20-24-14)13-21-7-9-22(10-8-21)18(25)19-12-15-3-5-17(23-2)6-4-15/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,25)/p+1