N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C18H25ClN4O2S MolecularWeight: 396.9347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O2S/c1-4-16(24)23-9-7-22(8-10-23)15-6-5-13(19)11-14(15)20-18(26)21-17(25)12(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H2,20,21,25,26)