2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-ethyl-benzamide

Systemtic Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-ethyl-benzamide Openeye Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-ethyl-benzamide CAS Name: 2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-ethylbenzamide IUPAC Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-ethylbenzamide Traditional Name: N-ethyl-2-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OCC

InChI

InChI=1S/C21H23N3O3S/c1-3-22-20(26)17-7-5-6-8-18(17)23-21(28)24-19(25)14-11-15-9-12-16(13-10-15)27-4-2/h5-14H,3-4H2,1-2H3,(H,22,26)(H2,23,24,25,28)/b14-11+