N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[(isovalerylthiocarbamoylamino)carbamoyl]phenyl]valeramide Formula: C18H26N4O3S MolecularWeight: 378.48904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-4-5-6-15(23)19-14-9-7-13(8-10-14)17(25)21-22-18(26)20-16(24)11-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H,19,23)(H,21,25)(H2,20,22,24,26)