3,6-bis(chloranyl)-N-[2-(4-methylpiperazin-1-yl)carbonylphenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[2-(4-methylpiperazin-1-yl)carbonylphenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzothiophene-2-carboxamide Formula: C21H19Cl2N3O2S MolecularWeight: 448.36546

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O2S/c1-25-8-10-26(11-9-25)21(28)14-4-2-3-5-16(14)24-20(27)19-18(23)15-7-6-13(22)12-17(15)29-19/h2-7,12H,8-11H2,1H3,(H,24,27)