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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-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-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3-chloro-benzothiophene-2-carboxamide Formula: C23H23Cl2N3O2S MolecularWeight: 476.41862

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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=CC=CC=C4S3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2N3O2S/c1-2-5-20(29)28-12-10-27(11-13-28)18-9-8-15(14-17(18)24)26-23(30)22-21(25)16-6-3-4-7-19(16)31-22/h3-4,6-9,14H,2,5,10-13H2,1H3,(H,26,30)