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

Systemtic Name: 2,2,4-trimethyl-N-[3-(prop-2-enylcarbamothioylamino)phenyl]pentanamide Openeye Name: N-[3-(allylcarbamothioylamino)phenyl]-2,2,4-trimethyl-pentanamide CAS Name: 2,2,4-trimethyl-N-[3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: 2,2,4-trimethyl-N-[3-(prop-2-enylcarbamothioylamino)phenyl]pentanamide Traditional Name: N-[3-(allylthiocarbamoylamino)phenyl]-2,2,4-trimethyl-valeramide Formula: C18H27N3OS MolecularWeight: 333.49148

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3OS/c1-6-10-19-17(23)21-15-9-7-8-14(11-15)20-16(22)18(4,5)12-13(2)3/h6-9,11,13H,1,10,12H2,2-5H3,(H,20,22)(H2,19,21,23)