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

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-phenethyl-piperazine-1-carbothioamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN4O2S/c20-16-6-7-17(18(14-16)24(25)26)22-10-12-23(13-11-22)19(27)21-9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,21,27)