3-chloranyl-N-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-pyridinylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide Formula: C27H22ClN3O2S MolecularWeight: 488.00048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl)C

InChI

InChI=1S/C27H22ClN3O2S/c1-16-9-10-19-12-20(26(32)30-24(19)17(16)2)15-31(14-18-6-5-11-29-13-18)27(33)25-23(28)21-7-3-4-8-22(21)34-25/h3-13H,14-15H2,1-2H3,(H,30,32)