4-ethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C24H29N5O5S MolecularWeight: 499.58256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O5S/c1-4-34-21-10-9-17(15-20(21)29(32)33)22(30)26-24(35)25-18-7-5-6-8-19(18)27-11-13-28(14-12-27)23(31)16(2)3/h5-10,15-16H,4,11-14H2,1-3H3,(H2,25,26,30,35)