N-[3-(tert-butylcarbamothioylamino)phenyl]-2-methyl-pentanamide

Systemtic Name: N-[3-(tert-butylcarbamothioylamino)phenyl]-2-methyl-pentanamide Openeye Name: N-[3-(tert-butylcarbamothioylamino)phenyl]-2-methyl-pentanamide CAS Name: N-[3-[[(tert-butylamino)-sulfanylidenemethyl]amino]phenyl]-2-methylpentanamide IUPAC Name: N-[3-(tert-butylcarbamothioylamino)phenyl]-2-methylpentanamide Traditional Name: N-[3-(tert-butylthiocarbamoylamino)phenyl]-2-methyl-valeramide Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3OS/c1-6-8-12(2)15(21)18-13-9-7-10-14(11-13)19-16(22)20-17(3,4)5/h7,9-12H,6,8H2,1-5H3,(H,18,21)(H2,19,20,22)