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

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C)OC

InChI

InChI=1S/C22H23N3O4S/c1-4-13-23-21(27)16-7-5-6-8-17(16)24-22(30)25-20(26)12-10-15-9-11-18(28-2)19(14-15)29-3/h4-12,14H,1,13H2,2-3H3,(H,23,27)(H2,24,25,26,30)/b12-10+