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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C23H23Cl2N3O2S MolecularWeight: 476.41862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2N3O2S/c1-2-3-20(29)28-12-10-27(11-13-28)17-7-5-16(6-8-17)26-23(30)22-21(25)18-9-4-15(24)14-19(18)31-22/h4-9,14H,2-3,10-13H2,1H3,(H,26,30)