N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-2-benzylsulfanyl-acetamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-2-(phenylmethylthio)acetamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2-benzylsulfanylacetamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-2-(benzylthio)acetamide Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=C/C(=C\3/NC4=CC=CC=C4S3)/C(=O)C=C2

InChI

InChI=1S/C22H18N2O2S2/c25-19-11-10-16(23-21(26)14-27-13-15-6-2-1-3-7-15)12-17(19)22-24-18-8-4-5-9-20(18)28-22/h1-12,24H,13-14H2,(H,23,26)/b22-17+