N-(furan-2-ylmethyl)-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-furylmethyl)-4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-furanylmethyl)-4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-furfuryl)-4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H17N3O3S2/c24-18(10-9-17-4-2-12-28-17)23-20(27)22-15-7-5-14(6-8-15)19(25)21-13-16-3-1-11-26-16/h1-12H,13H2,(H,21,25)(H2,22,23,24,27)/b10-9+