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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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