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

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]hexanamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]hexanamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]hexanamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]hexanamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]hexanamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C2NC3=CC=CC=C3S2)C(=O)C(=C1)C

Isomeric SMILES

CCCCCC(=O)NC1=C/C(=C\2/NC3=CC=CC=C3S2)/C(=O)C(=C1)C

InChI

InChI=1S/C20H22N2O2S/c1-3-4-5-10-18(23)21-14-11-13(2)19(24)15(12-14)20-22-16-8-6-7-9-17(16)25-20/h6-9,11-12,22H,3-5,10H2,1-2H3,(H,21,23)/b20-15+