3,6-bis(chloranyl)-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide Formula: C20H15Cl3N4O3S2 MolecularWeight: 529.8471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15Cl3N4O3S2/c21-11-1-3-13-16(9-11)32-18(17(13)23)19(28)24-20(31)26-7-5-25(6-8-26)15-4-2-12(27(29)30)10-14(15)22/h1-4,9-10H,5-8H2,(H,24,28,31)