6-methyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 6-methyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]thieno[2,3-b]quinoline-2-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-6-methyl-thieno[2,3-b]quinoline-2-carboxamide CAS Name: 6-methyl-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-6-methyl-thieno[2,3-b]quinoline-2-carboxamide Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(N=C2C=C1)SC(=C3)C(=O)NCCCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=CC3=C(N=C2C=C1)SC(=C3)C(=O)NCCCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N4OS/c1-20-8-9-24-22(16-20)17-23-18-25(33-27(23)29-24)26(32)28-10-5-11-30-12-14-31(15-13-30)19-21-6-3-2-4-7-21/h2-4,6-9,16-18H,5,10-15,19H2,1H3,(H,28,32)