5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-methyl-N-[2-(4-methyl-1-piperazinyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-methyl-N-[2-(4-methylpiperazino)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=CC=C3N4CCN(CC4)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=CC=C3N4CCN(CC4)C

InChI

InChI=1S/C21H27N3OS/c1-15-7-8-19-16(13-15)14-20(26-19)21(25)22-17-5-3-4-6-18(17)24-11-9-23(2)10-12-24/h3-6,14-15H,7-13H2,1-2H3,(H,22,25)