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

Systemtic Name: 3,6-bis(chloranyl)-N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[3-chloro-2-(4-propionylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C22H20Cl3N3O2S MolecularWeight: 496.8371

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H20Cl3N3O2S/c1-2-18(29)27-8-10-28(11-9-27)20-15(24)4-3-5-16(20)26-22(30)21-19(25)14-7-6-13(23)12-17(14)31-21/h3-7,12H,2,8-11H2,1H3,(H,26,30)