N-[[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[3-chloro-4-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O2S/c1-5-16(25)24-10-8-23(9-11-24)15-7-6-13(12-14(15)20)21-18(27)22-17(26)19(2,3)4/h6-7,12H,5,8-11H2,1-4H3,(H2,21,22,26,27)