N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C16H23N3O2S MolecularWeight: 321.43772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-4-6-14(20)17-12-7-5-8-13(10-12)18-16(22)19-15(21)9-11(2)3/h5,7-8,10-11H,4,6,9H2,1-3H3,(H,17,20)(H2,18,19,21,22)