N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3S/c1-17(2)22(29)27-14-12-26(13-15-27)19-10-8-18(9-11-19)24-23(31)25-21(28)16-30-20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3,(H2,24,25,28,31)