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

Systemtic Name: 3,4-bis(chloranyl)-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,4-dichloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,4-dichloro-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,4-dichloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C18H15Cl3N4O3S MolecularWeight: 473.7607

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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=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl3N4O3S/c19-13-3-1-11(9-14(13)20)17(26)22-18(29)24-7-5-23(6-8-24)16-4-2-12(25(27)28)10-15(16)21/h1-4,9-10H,5-8H2,(H,22,26,29)