N-butyl-4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzamide Openeye Name: N-butyl-4-[[2-(o-tolyl)acetyl]carbamothioylamino]benzamide CAS Name: N-butyl-4-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide Traditional Name: N-butyl-4-[[2-(o-tolyl)acetyl]thiocarbamoylamino]benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C21H25N3O2S/c1-3-4-13-22-20(26)16-9-11-18(12-10-16)23-21(27)24-19(25)14-17-8-6-5-7-15(17)2/h5-12H,3-4,13-14H2,1-2H3,(H,22,26)(H2,23,24,25,27)