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

Systemtic Name: 2,4-bis(chloranyl)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2,4-dichloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 2,4-dichloro-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dichloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 2,4-dichloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C18H16Cl2N4O3S MolecularWeight: 439.31564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N4O3S/c19-12-1-6-15(16(20)11-12)17(25)21-18(28)23-9-7-22(8-10-23)13-2-4-14(5-3-13)24(26)27/h1-6,11H,7-10H2,(H,21,25,28)