6-methyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: 6-methyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: 6-methyl-N-[[2-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: 6-methyl-N-[2-[(4-phenylpiperazino)methyl]benzyl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NCC3=CC=CC=C3CN4CCN(CC4)C5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NCC3=CC=CC=C3CN4CCN(CC4)C5=CC=CC=C5)C=C1

InChI

InChI=1S/C28H31N3OS/c1-21-11-12-22-18-27(33-26(22)17-21)28(32)29-19-23-7-5-6-8-24(23)20-30-13-15-31(16-14-30)25-9-3-2-4-10-25/h2-12,17,27H,13-16,18-20H2,1H3,(H,29,32)