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

Systemtic Name: 3-azanyl-N-(1,3-benzodioxol-5-yl)-7,8-dimethyl-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(1,3-benzodioxol-5-yl)-7,8-dimethyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(1,3-benzodioxol-5-yl)-7,8-dimethyl-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(1,3-benzodioxol-5-yl)-7,8-dimethylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(1,3-benzodioxol-5-yl)-7,8-dimethyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC4=CC5=C(C=C4)OCO5)N)C

Isomeric SMILES

CC1=C(C2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC4=CC5=C(C=C4)OCO5)N)C

InChI

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