4-(3H-1,3-benzothiazol-2-ylidene)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclohexa-2,5-dien-1-one Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC3=CC(=C4NC5=CC=CC=C5S4)C=CC3=O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC3=CC(=C4NC5=CC=CC=C5S4)C=CC3=O)OC

InChI

InChI=1S/C25H24N2O3S/c1-29-22-12-16-9-10-27(14-18(16)13-23(22)30-2)15-19-11-17(7-8-21(19)28)25-26-20-5-3-4-6-24(20)31-25/h3-8,11-13,26H,9-10,14-15H2,1-2H3