3-morpholin-4-ylsulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-morpholin-4-ylsulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-morpholinosulfonyl-benzamide CAS Name: 3-(4-morpholinylsulfonyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-morpholinosulfonyl-benzamide Formula: C20H20N4O4S3 MolecularWeight: 476.5922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O4S3/c25-18(21-19-22-23-20(30-19)29-14-15-5-2-1-3-6-15)16-7-4-8-17(13-16)31(26,27)24-9-11-28-12-10-24/h1-8,13H,9-12,14H2,(H,21,22,25)