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

Systemtic Name: 2-methyl-N-[3-(prop-2-enylcarbamothioylamino)phenyl]pentanamide Openeye Name: N-[3-(allylcarbamothioylamino)phenyl]-2-methyl-pentanamide CAS Name: 2-methyl-N-[3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: 2-methyl-N-[3-(prop-2-enylcarbamothioylamino)phenyl]pentanamide Traditional Name: N-[3-(allylthiocarbamoylamino)phenyl]-2-methyl-valeramide Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-4-7-12(3)15(20)18-13-8-6-9-14(11-13)19-16(21)17-10-5-2/h5-6,8-9,11-12H,2,4,7,10H2,1,3H3,(H,18,20)(H2,17,19,21)