4-tert-butyl-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 4-tert-butyl-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-tert-butyl-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-tert-butyl-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O3S/c1-22(2,3)16-9-7-15(8-10-16)20(28)24-21(31)26-13-11-25(12-14-26)19-17(23)5-4-6-18(19)27(29)30/h4-10H,11-14H2,1-3H3,(H,24,28,31)