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

Systemtic Name: N-(2-hydroxyethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-hydroxyethyl)-2-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-hydroxyethyl)-2-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-hydroxyethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-hydroxyethyl)-2-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S2/c21-10-9-18-16(23)13-5-1-2-6-14(13)19-17(24)20-15(22)8-7-12-4-3-11-25-12/h1-8,11,21H,9-10H2,(H,18,23)(H2,19,20,22,24)/b8-7+