N-(1,3-benzodioxol-5-ylmethyl)-3-chloranyl-N-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-chloranyl-N-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzothiophene-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-N-piperonyl-benzothiophene-2-carboxamide Formula: C28H21ClN2O4S MolecularWeight: 516.99534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=O)C5=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=O)C5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C28H21ClN2O4S/c1-16-5-4-6-18-12-19(27(32)30-25(16)18)14-31(13-17-9-10-21-22(11-17)35-15-34-21)28(33)26-24(29)20-7-2-3-8-23(20)36-26/h2-12H,13-15H2,1H3,(H,30,32)