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

Systemtic Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-(phenylmethyl)benzamide Openeye Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-4-benzyl-benzamide CAS Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-4-(phenylmethyl)benzamide IUPAC Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-4-benzylbenzamide Traditional Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-4-benzyl-benzamide Formula: C27H20N2O2S MolecularWeight: 436.5249

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)NC3=CC(=O)C(=C4NC5=CC=CC=C5S4)C=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)NC3=CC(=O)/C(=C/4\NC5=CC=CC=C5S4)/C=C3

InChI

InChI=1S/C27H20N2O2S/c30-24-17-21(14-15-22(24)27-29-23-8-4-5-9-25(23)32-27)28-26(31)20-12-10-19(11-13-20)16-18-6-2-1-3-7-18/h1-15,17,29H,16H2,(H,28,31)/b27-22+