N-[3-(2-chloranylprop-2-enylcarbamothioylamino)phenyl]-2-methyl-pentanamide

Systemtic Name: N-[3-(2-chloranylprop-2-enylcarbamothioylamino)phenyl]-2-methyl-pentanamide Openeye Name: N-[3-(2-chloroallylcarbamothioylamino)phenyl]-2-methyl-pentanamide CAS Name: N-[3-[[(2-chloroprop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]-2-methylpentanamide IUPAC Name: N-[3-(2-chloroprop-2-enylcarbamothioylamino)phenyl]-2-methylpentanamide Traditional Name: N-[3-(2-chloroallylthiocarbamoylamino)phenyl]-2-methyl-valeramide Formula: C16H22ClN3OS MolecularWeight: 339.88338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NCC(=C)Cl

Isomeric SMILES

CCCC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NCC(=C)Cl

InChI

InChI=1S/C16H22ClN3OS/c1-4-6-11(2)15(21)19-13-7-5-8-14(9-13)20-16(22)18-10-12(3)17/h5,7-9,11H,3-4,6,10H2,1-2H3,(H,19,21)(H2,18,20,22)