7-methoxy-2-[4-(4-phenylpiperazin-1-yl)butyl]-4,5-dihydrobenzo[e][1,3]benzothiazole

Systemtic Name: 7-methoxy-2-[4-(4-phenylpiperazin-1-yl)butyl]-4,5-dihydrobenzo[e][1,3]benzothiazole Openeye Name: 7-methoxy-2-[4-(4-phenylpiperazin-1-yl)butyl]-4,5-dihydrobenzo[e][1,3]benzothiazole CAS Name: 7-methoxy-2-[4-(4-phenyl-1-piperazinyl)butyl]-4,5-dihydrobenzo[e][1,3]benzothiazole IUPAC Name: 7-methoxy-2-[4-(4-phenylpiperazin-1-yl)butyl]-4,5-dihydrobenzo[e][1,3]benzothiazole Traditional Name: 7-methoxy-2-[4-(4-phenylpiperazino)butyl]-4,5-dihydrobenzo[e][1,3]benzothiazole Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)CCCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)CCCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N3OS/c1-30-22-11-12-23-20(19-22)10-13-24-26(23)27-25(31-24)9-5-6-14-28-15-17-29(18-16-28)21-7-3-2-4-8-21/h2-4,7-8,11-12,19H,5-6,9-10,13-18H2,1H3