6-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-4-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-4-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylene]-4-bromo-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylidene]-4-bromo-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylidene]-4-bromo-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylene]-4-bromo-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H15BrN2O2S MolecularWeight: 439.325

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C1=O)Br

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C1=O)Br

InChI

InChI=1S/C21H15BrN2O2S/c1-26-18-11-15(22)10-14(20(18)25)12-23-16-8-6-13(7-9-16)21-24-17-4-2-3-5-19(17)27-21/h2-12,23H,1H3