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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C=C2

InChI

InChI=1S/C25H24N2O3S/c1-2-3-6-15-30-19-12-9-17(10-13-19)24(29)26-18-11-14-20(22(28)16-18)25-27-21-7-4-5-8-23(21)31-25/h4-5,7-14,16,27H,2-3,6,15H2,1H3,(H,26,29)/b25-20+