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

Systemtic Name: N-(2-methoxyethyl)-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-methoxyethyl)-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-methoxyethyl)-4-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-methoxyethyl)-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-methoxyethyl)-4-[[(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=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-27-14-13-22-20(26)16-6-8-17(9-7-16)23-21(29)24-19(25)12-5-15-3-10-18(28-2)11-4-15/h3-12H,13-14H2,1-2H3,(H,22,26)(H2,23,24,25,29)/b12-5+