2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazino]-N-(4-nitrophenyl)acetamide Formula: C21H18Cl2N4O4S MolecularWeight: 493.36302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H18Cl2N4O4S/c22-13-1-6-16-17(11-13)32-20(19(16)23)21(29)26-9-7-25(8-10-26)12-18(28)24-14-2-4-15(5-3-14)27(30)31/h1-6,11H,7-10,12H2,(H,24,28)