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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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