N-[3-(2-chloranylprop-2-enylcarbamothioylamino)phenyl]-2,2,4-trimethyl-pentanamide

Systemtic Name: N-[3-(2-chloranylprop-2-enylcarbamothioylamino)phenyl]-2,2,4-trimethyl-pentanamide Openeye Name: N-[3-(2-chloroallylcarbamothioylamino)phenyl]-2,2,4-trimethyl-pentanamide CAS Name: N-[3-[[(2-chloroprop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]-2,2,4-trimethylpentanamide IUPAC Name: N-[3-(2-chloroprop-2-enylcarbamothioylamino)phenyl]-2,2,4-trimethylpentanamide Traditional Name: N-[3-(2-chloroallylthiocarbamoylamino)phenyl]-2,2,4-trimethyl-valeramide Formula: C18H26ClN3OS MolecularWeight: 367.93654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3OS/c1-12(2)10-18(4,5)16(23)21-14-7-6-8-15(9-14)22-17(24)20-11-13(3)19/h6-9,12H,3,10-11H2,1-2,4-5H3,(H,21,23)(H2,20,22,24)