3-methyl-N-(phenylmethyl)-5-(4-piperidin-1-ylsulfonylphenyl)-6H-1,3,4-thiadiazin-2-imine

Systemtic Name: 3-methyl-N-(phenylmethyl)-5-(4-piperidin-1-ylsulfonylphenyl)-6H-1,3,4-thiadiazin-2-imine Openeye Name: N-benzyl-3-methyl-5-[4-(1-piperidylsulfonyl)phenyl]-6H-1,3,4-thiadiazin-2-imine CAS Name: 3-methyl-N-(phenylmethyl)-5-[4-(1-piperidinylsulfonyl)phenyl]-6H-1,3,4-thiadiazin-2-imine IUPAC Name: N-benzyl-3-methyl-5-(4-piperidin-1-ylsulfonylphenyl)-6H-1,3,4-thiadiazin-2-imine Traditional Name: benzyl-[3-methyl-5-(4-piperidinosulfonylphenyl)-6H-1,3,4-thiadiazin-2-ylidene]amine Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NCC2=CC=CC=C2)SCC(=N1)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C(=NCC2=CC=CC=C2)SCC(=N1)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H26N4O2S2/c1-25-22(23-16-18-8-4-2-5-9-18)29-17-21(24-25)19-10-12-20(13-11-19)30(27,28)26-14-6-3-7-15-26/h2,4-5,8-13H,3,6-7,14-17H2,1H3