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

Systemtic Name: N-(2-methoxyethyl)-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-methoxyethyl)-4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-methoxyethyl)-4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-methoxyethyl)-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-methoxyethyl)-4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S2/c1-24-11-10-19-17(23)13-4-6-14(7-5-13)20-18(25)21-16(22)9-8-15-3-2-12-26-15/h2-9,12H,10-11H2,1H3,(H,19,23)(H2,20,21,22,25)/b9-8+