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

Systemtic Name: 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide Traditional Name: 4-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]-N-(2-methoxyethyl)benzamide Formula: C22H25N3O5S MolecularWeight: 443.516

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-28-13-12-23-21(27)16-6-8-17(9-7-16)24-22(31)25-20(26)11-5-15-4-10-18(29-2)19(14-15)30-3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H2,24,25,26,31)/b11-5+