3-chloranyl-N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]benzothiophene-2-carboxamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClN4O4S/c22-19-16-3-1-2-4-17(16)31-20(19)21(28)23-13-18(27)25-11-9-24(10-12-25)14-5-7-15(8-6-14)26(29)30/h1-8H,9-13H2,(H,23,28)