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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Formula: C18H19ClN4O3S MolecularWeight: 406.88646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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