N-(2-chloranyl-5-nitro-phenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-(2-chloro-5-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-(2-chloro-5-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-(2-chloro-5-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-(2-chloro-5-nitro-phenyl)piperazine-1-carbothioamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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