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

Systemtic Name: N-(2-methoxyethyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-methoxyethyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-methoxyethyl)-3-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-methoxyethyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-methoxyethyl)-3-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-27-13-12-22-20(26)16-4-3-5-17(14-16)23-21(29)24-19(25)11-8-15-6-9-18(28-2)10-7-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H2,23,24,25,29)/b11-8+