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

Systemtic Name: N-tert-butyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-tert-butyl-2-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-tert-butyl-2-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-tert-butyl-2-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)(C)C

InChI

InChI=1S/C22H25N3O2S/c1-15-9-11-16(12-10-15)13-14-19(26)24-21(28)23-18-8-6-5-7-17(18)20(27)25-22(2,3)4/h5-14H,1-4H3,(H,25,27)(H2,23,24,26,28)/b14-13+