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

Systemtic Name: 3-butoxy-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-butoxy-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-butoxy-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-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=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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