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

Systemtic Name: N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[oxo-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]butanamide IUPAC Name: N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S2/c1-2-4-16(24)20-14-8-6-13(7-9-14)18(26)22-23-19(27)21-17(25)11-10-15-5-3-12-28-15/h3,5-12H,2,4H2,1H3,(H,20,24)(H,22,26)(H2,21,23,25,27)/b11-10+