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

Systemtic Name: N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: N-[4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S2/c1-2-4-16(22)19-13-6-8-14(9-7-13)20-18(24)21-17(23)11-10-15-5-3-12-25-15/h3,5-12H,2,4H2,1H3,(H,19,22)(H2,20,21,23,24)/b11-10+