N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C23H28N4O5S MolecularWeight: 472.55722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5S/c1-16(2)15-32-19-6-4-5-17(13-19)22(28)24-23(33)26-11-9-25(10-12-26)20-8-7-18(31-3)14-21(20)27(29)30/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,24,28,33)