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

Systemtic Name: 3-butoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C26H34N4O3S MolecularWeight: 482.63816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C26H34N4O3S/c1-4-5-17-33-23-8-6-7-20(18-23)24(31)28-26(34)27-21-9-11-22(12-10-21)29-13-15-30(16-14-29)25(32)19(2)3/h6-12,18-19H,4-5,13-17H2,1-3H3,(H2,27,28,31,34)