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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-4-22-20(26)15-7-9-16(10-8-15)23-21(29)24-19(25)12-6-14-5-11-17(27-2)18(13-14)28-3/h5-13H,4H2,1-3H3,(H,22,26)(H2,23,24,25,29)/b12-6+