N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[oxo-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]pentanamide IUPAC Name: N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[[(E)-3-phenylacryloyl]thiocarbamoylamino]carbamoyl]phenyl]valeramide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/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/h4-8,10-15H,2-3,9H2,1H3,(H,23,27)(H,25,29)(H2,24,26,28,30)/b15-10+