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

Systemtic Name: N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O2S/c1-3-5-9-16(25)22-19(27)21-15-8-6-7-14(20)18(15)24-12-10-23(11-13-24)17(26)4-2/h6-8H,3-5,9-13H2,1-2H3,(H2,21,22,25,27)