3-chloranyl-N-(3-chloranyl-4-piperidin-1-yl-phenyl)-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(3-chloranyl-4-piperidin-1-yl-phenyl)-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-chloro-4-(1-piperidyl)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-chloro-4-(1-piperidinyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3-chloro-4-piperidino-phenyl)-7-nitro-benzothiophene-2-carboxamide Formula: C20H17Cl2N3O3S MolecularWeight: 450.33828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O3S/c21-14-11-12(7-8-15(14)24-9-2-1-3-10-24)23-20(26)19-17(22)13-5-4-6-16(25(27)28)18(13)29-19/h4-8,11H,1-3,9-10H2,(H,23,26)