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

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-butoxy-benzamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]-3-butoxy-benzamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]-3-butoxybenzamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]-3-butoxybenzamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]-3-butoxy-benzamide Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C(=C2)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=C/C(=C\3/NC4=CC=CC=C4S3)/C(=O)C(=C2)C

InChI

InChI=1S/C25H24N2O3S/c1-3-4-12-30-19-9-7-8-17(14-19)24(29)26-18-13-16(2)23(28)20(15-18)25-27-21-10-5-6-11-22(21)31-25/h5-11,13-15,27H,3-4,12H2,1-2H3,(H,26,29)/b25-20+