3-chloranyl-N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazino]phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C28H25ClN4O6S MolecularWeight: 581.0393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C28H25ClN4O6S/c1-38-20-14-17(15-21(16-20)39-2)28(35)32-12-10-31(11-13-32)19-8-6-18(7-9-19)30-27(34)26-24(29)22-4-3-5-23(33(36)37)25(22)40-26/h3-9,14-16H,10-13H2,1-2H3,(H,30,34)