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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-4-(2-methylpropoxy)benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-isobutoxy-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-isobutoxy-benzamide Formula: C22H25ClN4O4S MolecularWeight: 476.9763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O4S/c1-15(2)14-31-18-6-3-16(4-7-18)21(28)24-22(32)26-11-9-25(10-12-26)20-8-5-17(27(29)30)13-19(20)23/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,28,32)