7-methoxy-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 7-methoxy-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]thieno[2,3-b]quinoline-2-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 7-methoxy-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-7-methoxy-thieno[2,3-b]quinoline-2-carboxamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2S/c1-32-22-8-7-20-15-21-16-24(33-26(21)28-23(20)17-22)25(31)27-9-10-29-11-13-30(14-12-29)18-19-5-3-2-4-6-19/h2-8,15-17H,9-14,18H2,1H3,(H,27,31)