3,6-bis(chloranyl)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(4-isobutyrylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C23H23Cl2N3O2S MolecularWeight: 476.41862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H23Cl2N3O2S/c1-14(2)23(30)28-11-9-27(10-12-28)18-6-4-3-5-17(18)26-22(29)21-20(25)16-8-7-15(24)13-19(16)31-21/h3-8,13-14H,9-12H2,1-2H3,(H,26,29)