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

Systemtic Name: N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]carbamoyl]phenyl]valeramide Formula: C24H28N4O4S MolecularWeight: 468.56852

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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=C(C=C2)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-3-5-6-21(29)25-19-12-10-18(11-13-19)23(31)27-28-24(33)26-22(30)16-9-17-7-14-20(15-8-17)32-4-2/h7-16H,3-6H2,1-2H3,(H,25,29)(H,27,31)(H2,26,28,30,33)/b16-9+