N-[(5-bromanyl-2-methoxy-phenyl)methyl]-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-7-methoxy-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-7-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=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

COC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCC4=C(C=CC(=C4)Br)OC

InChI

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