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

Systemtic Name: 3-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-methyl-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-7-methyl-N-piperonyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H17N3O3S/c1-11-2-4-13-8-14-18(22)19(28-21(14)24-15(13)6-11)20(25)23-9-12-3-5-16-17(7-12)27-10-26-16/h2-8H,9-10,22H2,1H3,(H,23,25)