2-methyl-2-phenyl-1-[4-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 2-methyl-2-phenyl-1-[4-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 2-methyl-2-phenyl-1-[4-[(2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 2-methyl-2-phenyl-1-[4-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 2-methyl-2-phenyl-1-[4-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 2-methyl-2-phenyl-1-[4-[(2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Formula: C17H23N4OS2+ MolecularWeight: 363.52072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CN3C(=S)SC=N3

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CN3C(=S)SC=N3

InChI

InChI=1S/C17H22N4OS2/c1-17(2,14-6-4-3-5-7-14)15(22)20-10-8-19(9-11-20)13-21-16(23)24-12-18-21/h3-7,12H,8-11,13H2,1-2H3/p+1