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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-3-chloro-benzothiophene-2-carboxamide Formula: C23H24ClN3O2S MolecularWeight: 441.97356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H24ClN3O2S/c1-2-5-20(28)27-14-12-26(13-15-27)17-10-8-16(9-11-17)25-23(29)22-21(24)18-6-3-4-7-19(18)30-22/h3-4,6-11H,2,5,12-15H2,1H3,(H,25,29)