N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3OS/c27-23(21-18-28-22-10-5-4-9-20(21)22)24-11-6-12-25-13-15-26(16-14-25)17-19-7-2-1-3-8-19/h1-3,7-8,18H,4-6,9-17H2,(H,24,27)