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

Systemtic Name: 3,6-bis(chloranyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(4-propionylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C22H21Cl2N3O2S MolecularWeight: 462.39204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O2S/c1-2-19(28)27-11-9-26(10-12-27)17-6-4-3-5-16(17)25-22(29)21-20(24)15-8-7-14(23)13-18(15)30-21/h3-8,13H,2,9-12H2,1H3,(H,25,29)