4-[(3,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dichlorobenzyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C18H18Cl2N4O2S MolecularWeight: 425.33212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18Cl2N4O2S/c19-16-5-4-13(10-17(16)20)12-22-6-8-23(9-7-22)18(27)21-14-2-1-3-15(11-14)24(25)26/h1-5,10-11H,6-9,12H2,(H,21,27)