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

Systemtic Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]propionamide Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(C)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(C)C

InChI

InChI=1S/C19H28N4O2S/c1-4-17(24)21-19(26)20-15-5-7-16(8-6-15)22-9-11-23(12-10-22)18(25)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H2,20,21,24,26)