N-[3-(2-methylpropanoylcarbamothioylamino)phenyl]pentanamide

Systemtic Name: N-[3-(2-methylpropanoylcarbamothioylamino)phenyl]pentanamide Openeye Name: N-[3-(2-methylpropanoylcarbamothioylamino)phenyl]pentanamide CAS Name: N-[3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-(2-methylpropanoylcarbamothioylamino)phenyl]pentanamide Traditional Name: N-[3-(isobutyrylthiocarbamoylamino)phenyl]valeramide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-4-5-9-14(20)17-12-7-6-8-13(10-12)18-16(22)19-15(21)11(2)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,20)(H2,18,19,21,22)