N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: 2-methyl-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C(C)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C(C)C

InChI

InChI=1S/C19H28N4O2S/c1-4-5-17(24)23-12-10-22(11-13-23)16-8-6-15(7-9-16)20-19(26)21-18(25)14(2)3/h6-9,14H,4-5,10-13H2,1-3H3,(H2,20,21,25,26)