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

Systemtic Name: 3-azanyl-N-(1,3-benzodioxol-5-yl)-6-ethyl-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(1,3-benzodioxol-5-yl)-6-ethyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(1,3-benzodioxol-5-yl)-6-ethyl-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(1,3-benzodioxol-5-yl)-6-ethylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(1,3-benzodioxol-5-yl)-6-ethyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O3S/c1-2-11-3-5-15-12(7-11)8-14-18(22)19(28-21(14)24-15)20(25)23-13-4-6-16-17(9-13)27-10-26-16/h3-9H,2,10,22H2,1H3,(H,23,25)