3-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-6-ethylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-6-ethyl-N-piperonyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N3O3S/c1-2-12-3-5-16-14(7-12)9-15-19(23)20(29-22(15)25-16)21(26)24-10-13-4-6-17-18(8-13)28-11-27-17/h3-9H,2,10-11,23H2,1H3,(H,24,26)