N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C25H32N4O3S MolecularWeight: 468.61158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)C

InChI

InChI=1S/C25H32N4O3S/c1-18(2)15-24(31)29-13-11-28(12-14-29)21-9-7-20(8-10-21)26-25(33)27-23(30)17-32-22-6-4-5-19(3)16-22/h4-10,16,18H,11-15,17H2,1-3H3,(H2,26,27,30,33)