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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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