3-chloranyl-N-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[4-(2-furoyl)piperazino]phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C24H19ClN4O5S MolecularWeight: 510.94946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)C(=O)C5=CC=CO5

InChI

InChI=1S/C24H19ClN4O5S/c25-20-17-3-1-4-18(29(32)33)21(17)35-22(20)23(30)26-15-6-8-16(9-7-15)27-10-12-28(13-11-27)24(31)19-5-2-14-34-19/h1-9,14H,10-13H2,(H,26,30)