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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C23H22Cl3N3O2S MolecularWeight: 510.86368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C23H22Cl3N3O2S/c1-2-3-20(30)29-10-8-28(9-11-29)18-7-5-15(13-17(18)25)27-23(31)22-21(26)16-6-4-14(24)12-19(16)32-22/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,31)