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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-7-methyl-thieno[2,3-b]quinoline-2-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-7-methyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-7-methyl-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-7-methyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C21H17BrN2O2S/c1-12-3-4-13-8-14-10-19(27-21(14)24-17(13)7-12)20(25)23-11-15-9-16(22)5-6-18(15)26-2/h3-10H,11H2,1-2H3,(H,23,25)