4-(2-chlorophenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-chlorophenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-chlorophenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chlorophenyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C18H19ClN4O3S MolecularWeight: 406.88646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H19ClN4O3S/c1-26-17-12-13(23(24)25)6-7-15(17)20-18(27)22-10-8-21(9-11-22)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3,(H,20,27)