N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O3S/c1-16(2)22(30)28-12-10-27(11-13-28)20-9-8-17(14-19(20)24)25-23(32)26-21(29)15-31-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H2,25,26,29,32)