2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C20H22N4O4S3 MolecularWeight: 478.60808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NN=C(S3)NCC4=CC=CO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NN=C(S3)NCC4=CC=CO4

InChI

InChI=1S/C20H22N4O4S3/c25-18(14-29-20-23-22-19(30-20)21-13-16-5-4-12-28-16)15-6-8-17(9-7-15)31(26,27)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,21,22)