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

Systemtic Name: N-(2-methoxyethyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-methoxyethyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-methoxyethyl)-4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-methoxyethyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-methoxyethyl)-4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-26-14-13-21-19(25)16-8-10-17(11-9-16)22-20(27)23-18(24)12-7-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,21,25)(H2,22,23,24,27)/b12-7+