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

Systemtic Name: 2,2-dimethyl-N-[3-(prop-2-enylcarbamothioylamino)phenyl]pentanamide Openeye Name: N-[3-(allylcarbamothioylamino)phenyl]-2,2-dimethyl-pentanamide CAS Name: 2,2-dimethyl-N-[3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: 2,2-dimethyl-N-[3-(prop-2-enylcarbamothioylamino)phenyl]pentanamide Traditional Name: N-[3-(allylthiocarbamoylamino)phenyl]-2,2-dimethyl-valeramide Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS/c1-5-10-17(3,4)15(21)19-13-8-7-9-14(12-13)20-16(22)18-11-6-2/h6-9,12H,2,5,10-11H2,1,3-4H3,(H,19,21)(H2,18,20,22)