2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[4,6-bis(1-piperidyl)-1,3,5-triazin-2-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(4,6-dipiperidino-s-triazin-2-yl)thio]-6-nitro-1,3-benzothiazole Formula: C20H23N7O2S2 MolecularWeight: 457.57232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C20H23N7O2S2/c28-27(29)14-7-8-15-16(13-14)30-20(21-15)31-19-23-17(25-9-3-1-4-10-25)22-18(24-19)26-11-5-2-6-12-26/h7-8,13H,1-6,9-12H2