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

Systemtic Name: 4-butoxy-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-butoxy-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 4-butoxy-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-butoxy-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C22H25ClN4O4S MolecularWeight: 476.9763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN4O4S/c1-2-3-15-31-17-9-7-16(8-10-17)21(28)24-22(32)26-13-11-25(12-14-26)20-18(23)5-4-6-19(20)27(29)30/h4-10H,2-3,11-15H2,1H3,(H,24,28,32)