N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]ethanamide

Systemtic Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide CAS Name: N-[[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide Traditional Name: N-[[4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C18H26N4O2S MolecularWeight: 362.48964

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2S/c1-13(2)12-17(24)22-10-8-21(9-11-22)16-6-4-15(5-7-16)20-18(25)19-14(3)23/h4-7,13H,8-12H2,1-3H3,(H2,19,20,23,25)