N-(2-chloranyl-6-methyl-phenyl)-4-(5-nitropyridin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-4-(5-nitropyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-4-(5-nitro-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-6-methylphenyl)-4-(5-nitro-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-6-methylphenyl)-4-(5-nitropyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-4-(5-nitro-2-pyridyl)piperazine-1-carbothioamide Formula: C17H18ClN5O2S MolecularWeight: 391.87512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN5O2S/c1-12-3-2-4-14(18)16(12)20-17(26)22-9-7-21(8-10-22)15-6-5-13(11-19-15)23(24)25/h2-6,11H,7-10H2,1H3,(H,20,26)