N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[3-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]propionamide Formula: C18H25ClN4O2S MolecularWeight: 396.9347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O2S/c1-4-15(24)21-18(26)20-14-7-5-6-13(19)16(14)22-8-10-23(11-9-22)17(25)12(2)3/h5-7,12H,4,8-11H2,1-3H3,(H2,20,21,24,26)