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

Systemtic Name: N-[[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[3-chloro-4-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O3S/c1-2-21(29)27-12-10-26(11-13-27)19-9-8-16(14-18(19)23)24-22(31)25-20(28)15-30-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H2,24,25,28,31)