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

Systemtic Name: N-[3-(2-chloranylprop-2-enylcarbamothioylamino)phenyl]-2,2-dimethyl-pentanamide Openeye Name: N-[3-(2-chloroallylcarbamothioylamino)phenyl]-2,2-dimethyl-pentanamide CAS Name: N-[3-[[(2-chloroprop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]-2,2-dimethylpentanamide IUPAC Name: N-[3-(2-chloroprop-2-enylcarbamothioylamino)phenyl]-2,2-dimethylpentanamide Traditional Name: N-[3-(2-chloroallylthiocarbamoylamino)phenyl]-2,2-dimethyl-valeramide Formula: C17H24ClN3OS MolecularWeight: 353.90996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3OS/c1-5-9-17(3,4)15(22)20-13-7-6-8-14(10-13)21-16(23)19-11-12(2)18/h6-8,10H,2,5,9,11H2,1,3-4H3,(H,20,22)(H2,19,21,23)