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

Systemtic Name: 3-chloranyl-N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C27H23Cl2N3O2S MolecularWeight: 524.46142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C27H23Cl2N3O2S/c1-17-9-11-18(12-10-17)27(34)32-15-13-31(14-16-32)24-20(28)6-4-7-21(24)30-26(33)25-23(29)19-5-2-3-8-22(19)35-25/h2-12H,13-16H2,1H3,(H,30,33)