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

Systemtic Name: N-[[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[3-chloro-4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]propionamide Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O2S/c1-4-17(25)22-19(27)21-14-5-6-16(15(20)12-14)23-7-9-24(10-8-23)18(26)11-13(2)3/h5-6,12-13H,4,7-11H2,1-3H3,(H2,21,22,25,27)