4-(2-chlorophenyl)carbonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-chlorophenyl)carbonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-chlorobenzoyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)-oxomethyl]-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-chlorobenzoyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzoyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O3S/c19-16-4-2-1-3-15(16)17(24)21-9-11-22(12-10-21)18(27)20-13-5-7-14(8-6-13)23(25)26/h1-8H,9-12H2,(H,20,27)