3-methyl-N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]butanamide Openeye Name: 3-methyl-N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]butanamide CAS Name: 3-methyl-N-[4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]butanamide Traditional Name: N-[4-(isovalerylthiocarbamoylamino)phenyl]-3-methyl-butyramide Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-11(2)9-15(21)18-13-5-7-14(8-6-13)19-17(23)20-16(22)10-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,18,21)(H2,19,20,22,23)