3-azanyl-N-[(4-butoxyphenyl)methyl]-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-[(4-butoxyphenyl)methyl]-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-[(4-butoxyphenyl)methyl]-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-[(4-butoxyphenyl)methyl]-6-ethoxy-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-[(4-butoxyphenyl)methyl]-6-ethoxythieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(4-butoxybenzyl)-6-ethoxy-thieno[2,3-b]quinoline-2-carboxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)N=C4C=CC(=CC4=C3)OCC)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)N=C4C=CC(=CC4=C3)OCC)N

InChI

InChI=1S/C25H27N3O3S/c1-3-5-12-31-18-8-6-16(7-9-18)15-27-24(29)23-22(26)20-14-17-13-19(30-4-2)10-11-21(17)28-25(20)32-23/h6-11,13-14H,3-5,12,15,26H2,1-2H3,(H,27,29)