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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)Cl

InChI

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