N-(1,3-benzodioxol-5-ylmethyl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methyl-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: 7-methyl-N-piperonyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16N2O3S/c1-12-2-4-14-8-15-9-19(27-21(15)23-16(14)6-12)20(24)22-10-13-3-5-17-18(7-13)26-11-25-17/h2-9H,10-11H2,1H3,(H,22,24)