6-(3H-1,3-benzothiazol-2-ylidene)-4-[(4-octoxyphenyl)methylideneamino]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(3H-1,3-benzothiazol-2-ylidene)-4-[(4-octoxyphenyl)methylideneamino]cyclohexa-2,4-dien-1-one Openeye Name: 6-(3H-1,3-benzothiazol-2-ylidene)-4-[(4-octoxyphenyl)methyleneamino]cyclohexa-2,4-dien-1-one CAS Name: 6-(3H-1,3-benzothiazol-2-ylidene)-4-[(4-octoxyphenyl)methylideneamino]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(3H-1,3-benzothiazol-2-ylidene)-4-[(4-octoxyphenyl)methylideneamino]cyclohexa-2,4-dien-1-one Traditional Name: 6-(3H-1,3-benzothiazol-2-ylidene)-4-[(4-octoxybenzylidene)amino]cyclohexa-2,4-dien-1-one Formula: C28H30N2O2S MolecularWeight: 458.615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C=NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

InChI

InChI=1S/C28H30N2O2S/c1-2-3-4-5-6-9-18-32-23-15-12-21(13-16-23)20-29-22-14-17-26(31)24(19-22)28-30-25-10-7-8-11-27(25)33-28/h7-8,10-17,19-20,30H,2-6,9,18H2,1H3