N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]pentanamide Openeye Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]valeramide Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-4-5-6-14(22)19-17(25)21-20-16(24)12-7-9-13(10-8-12)18-15(23)11(2)3/h7-11H,4-6H2,1-3H3,(H,18,23)(H,20,24)(H2,19,21,22,25)