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

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methylpentanamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-methyl-valeramide Formula: C19H29ClN4OS MolecularWeight: 396.97776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)CCC(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)CCC(C)C

InChI

InChI=1S/C19H29ClN4OS/c1-4-23-10-12-24(13-11-23)18-15(20)6-5-7-16(18)21-19(26)22-17(25)9-8-14(2)3/h5-7,14H,4,8-13H2,1-3H3,(H2,21,22,25,26)