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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-24(2)20(26)15-6-5-7-16(13-15)22-21(29)23-19(25)11-9-14-8-10-17(27-3)18(12-14)28-4/h5-13H,1-4H3,(H2,22,23,25,29)/b11-9+