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

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C18H27ClN4OS MolecularWeight: 382.95118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4OS/c1-3-5-9-16(24)21-18(25)20-15-8-6-7-14(19)17(15)23-12-10-22(4-2)11-13-23/h6-8H,3-5,9-13H2,1-2H3,(H2,20,21,24,25)