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

Systemtic Name: N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[oxo-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]pentanamide IUPAC Name: N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]valeramide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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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=CS2

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C20H22N4O3S2/c1-2-3-6-17(25)21-15-9-7-14(8-10-15)19(27)23-24-20(28)22-18(26)12-11-16-5-4-13-29-16/h4-5,7-13H,2-3,6H2,1H3,(H,21,25)(H,23,27)(H2,22,24,26,28)/b12-11+