4-tert-butyl-N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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