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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-phenyl-piperazine-1-carbothioamide Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O2S/c18-15-7-6-14(22(23)24)12-16(15)19-17(25)21-10-8-20(9-11-21)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,19,25)