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

Systemtic Name: 3-chloranyl-N-[4-(4-propanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-propionylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2S/c1-2-19(27)26-13-11-25(12-14-26)16-9-7-15(8-10-16)24-22(28)21-20(23)17-5-3-4-6-18(17)29-21/h3-10H,2,11-14H2,1H3,(H,24,28)