N-[4-[(2-phenylethanoylcarbamothioylamino)carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[(2-phenylethanoylcarbamothioylamino)carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[(2-phenylacetyl)carbamothioylamino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[oxo-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]pentanamide IUPAC Name: N-[4-[[(2-phenylacetyl)carbamothioylamino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[(2-phenylacetyl)thiocarbamoylamino]carbamoyl]phenyl]valeramide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H24N4O3S/c1-2-3-9-18(26)22-17-12-10-16(11-13-17)20(28)24-25-21(29)23-19(27)14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,29)