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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[2-methyl-4-(4-methylpiperazino)phenyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

InChI

InChI=1S/C25H27N3OS/c1-17-15-20(28-13-11-27(2)12-14-28)9-10-22(17)26-25(29)23-16-19-8-7-18-5-3-4-6-21(18)24(19)30-23/h3-6,9-10,15-16H,7-8,11-14H2,1-2H3,(H,26,29)