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

Systemtic Name: 3-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-7-methoxy-N-piperonyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

COC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H17N3O4S/c1-26-13-4-3-12-7-14-18(22)19(29-21(14)24-15(12)8-13)20(25)23-9-11-2-5-16-17(6-11)28-10-27-16/h2-8H,9-10,22H2,1H3,(H,23,25)