N-[(5-bromanyl-2-methoxy-phenyl)methyl]-6-methoxy-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-6-methoxy-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-6-methoxy-thieno[2,3-b]quinoline-2-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxy-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-6-methoxy-thieno[2,3-b]quinoline-2-carboxamide Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC3=C(N=C2C=C1)SC(=C3)C(=O)NCC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

COC1=CC2=CC3=C(N=C2C=C1)SC(=C3)C(=O)NCC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C21H17BrN2O3S/c1-26-16-4-5-17-12(9-16)7-13-10-19(28-21(13)24-17)20(25)23-11-14-8-15(22)3-6-18(14)27-2/h3-10H,11H2,1-2H3,(H,23,25)