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

Systemtic Name: N-[[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-chloro-4-(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=CC(=C(C=C1)N2CCN(CC2)C(=O)CC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O2S/c1-3-5-6-17(25)22-19(27)21-14-7-8-16(15(20)13-14)23-9-11-24(12-10-23)18(26)4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H2,21,22,25,27)