N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]pentanamide Openeye Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]valeramide Formula: C18H26N4O3S MolecularWeight: 378.48904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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