N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C26H29N3OS MolecularWeight: 431.59296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4)C

InChI

InChI=1S/C26H29N3OS/c1-3-28-12-14-29(15-13-28)21-10-11-23(18(2)16-21)27-26(30)24-17-20-9-8-19-6-4-5-7-22(19)25(20)31-24/h4-7,10-11,16-17H,3,8-9,12-15H2,1-2H3,(H,27,30)