(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexa-2,5-dien-1-one Formula: C23H20N2OS MolecularWeight: 372.4827

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC(=C4NC5=CC=CC=C5S4)C=CC3=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=C/C(=C/4\NC5=CC=CC=C5S4)/C=CC3=O

InChI

InChI=1S/C23H20N2OS/c26-21-10-9-17(23-24-20-7-3-4-8-22(20)27-23)13-19(21)15-25-12-11-16-5-1-2-6-18(16)14-25/h1-10,13,24H,11-12,14-15H2/b23-17+