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

Systemtic Name: N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C20H29ClN4O2S MolecularWeight: 424.98786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4O2S/c1-4-5-9-17(26)23-20(28)22-16-8-6-7-15(21)18(16)24-10-12-25(13-11-24)19(27)14(2)3/h6-8,14H,4-5,9-13H2,1-3H3,(H2,22,23,26,28)