3,4,5-trimethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C25H32N4O5S MolecularWeight: 500.61038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H32N4O5S/c1-16(2)24(31)29-12-10-28(11-13-29)19-9-7-6-8-18(19)26-25(35)27-23(30)17-14-20(32-3)22(34-5)21(15-17)33-4/h6-9,14-16H,10-13H2,1-5H3,(H2,26,27,30,35)