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

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioamide Formula: C14H17ClN4O2S MolecularWeight: 340.82838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H17ClN4O2S/c1-2-5-16-14(22)18-8-6-17(7-9-18)12-4-3-11(15)10-13(12)19(20)21/h2-4,10H,1,5-9H2,(H,16,22)