2-methyl-N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide

Systemtic Name: 2-methyl-N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: 2-methyl-N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: 2-methyl-N-[[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2-methyl-N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-14(2)13-18(25)24-11-9-23(10-12-24)17-7-5-16(6-8-17)21-20(27)22-19(26)15(3)4/h5-8,14-15H,9-13H2,1-4H3,(H2,21,22,26,27)