3-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethyl-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethyl-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethyl-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-7,8-dimethyl-N-piperonyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5)N)C

Isomeric SMILES

CC1=C(C2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5)N)C

InChI

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