N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetamide Formula: C25H25N5OS2 MolecularWeight: 475.6289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)N5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)N5CCCCC5

InChI

InChI=1S/C25H25N5OS2/c1-17-5-10-21-22(15-17)33-25(26-21)27-23(31)16-32-24-12-11-20(28-29-24)18-6-8-19(9-7-18)30-13-3-2-4-14-30/h5-12,15H,2-4,13-14,16H2,1H3,(H,26,27,31)