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

Systemtic Name: N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]pentanamide CAS Name: N-[4-[oxo-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]pentanamide IUPAC Name: N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[(hydrocinnamoylthiocarbamoylamino)carbamoyl]phenyl]valeramide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H26N4O3S/c1-2-3-9-19(27)23-18-13-11-17(12-14-18)21(29)25-26-22(30)24-20(28)15-10-16-7-5-4-6-8-16/h4-8,11-14H,2-3,9-10,15H2,1H3,(H,23,27)(H,25,29)(H2,24,26,28,30)