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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide Traditional Name: 7-methoxy-N-piperonyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16N2O4S/c1-25-15-4-3-13-7-14-8-19(28-21(14)23-16(13)9-15)20(24)22-10-12-2-5-17-18(6-12)27-11-26-17/h2-9H,10-11H2,1H3,(H,22,24)