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

Systemtic Name: N-tert-butyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-tert-butyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-tert-butyl-2-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-tert-butyl-2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)26-21(28)16-8-6-7-9-17(16)24-22(31)25-20(27)13-11-15-10-12-18(29-4)19(14-15)30-5/h6-14H,1-5H3,(H,26,28)(H2,24,25,27,31)/b13-11+