N-tert-butyl-3-[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]benzamide

Systemtic Name: N-tert-butyl-3-[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]benzamide Openeye Name: N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]benzamide CAS Name: N-tert-butyl-3-[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]benzamide Traditional Name: N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]thiocarbamoylamino]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)24-19(26)15-6-5-7-16(13-15)22-20(28)23-18(25)12-14-8-10-17(27-4)11-9-14/h5-11,13H,12H2,1-4H3,(H,24,26)(H2,22,23,25,28)