3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C20H18N4O2S3 MolecularWeight: 442.57752

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S3/c25-17(10-11-24-15-8-4-5-9-16(15)27-13-18(24)26)21-19-22-23-20(29-19)28-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,22,25)