[3-(2-methylpentanoylamino)phenyl]carbamothioic S-acid

Systemtic Name: [3-(2-methylpentanoylamino)phenyl]carbamothioic S-acid Openeye Name: [3-(2-methylpentanoylamino)phenyl]carbamothioic S-acid CAS Name: [3-[(2-methyl-1-oxopentyl)amino]phenyl]carbamothioic S-acid IUPAC Name: [3-(2-methylpentanoylamino)phenyl]carbamothioic S-acid Traditional Name: [3-(2-methylpentanoylamino)phenyl]thiocarbamic S-acid Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-3-5-9(2)12(16)14-10-6-4-7-11(8-10)15-13(17)18/h4,6-9H,3,5H2,1-2H3,(H,14,16)(H2,15,17,18)