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

Systemtic Name: 3,6-bis(chloranyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20Cl2N4OS2 MolecularWeight: 479.4457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N4OS2/c1-26-8-10-27(11-9-26)16-5-3-2-4-15(16)24-21(29)25-20(28)19-18(23)14-7-6-13(22)12-17(14)30-19/h2-7,12H,8-11H2,1H3,(H2,24,25,28,29)