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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: 2,2-dimethyl-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C20H30N4O2S MolecularWeight: 390.5428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-5-6-17(25)24-13-11-23(12-14-24)16-9-7-15(8-10-16)21-19(27)22-18(26)20(2,3)4/h7-10H,5-6,11-14H2,1-4H3,(H2,21,22,26,27)