2-[2-(4-methoxyphenyl)ethanoylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-(4-methoxyphenyl)ethanoylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[[2-(4-methoxyphenyl)acetyl]carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[[2-(4-methoxyphenyl)acetyl]carbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[[2-(4-methoxyphenyl)acetyl]thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H27N3O3S/c1-29(26(33)28-24(30)18-20-12-14-21(32-2)15-13-20)23-11-7-6-10-22(23)25(31)27-17-16-19-8-4-3-5-9-19/h3-15H,16-18H2,1-2H3,(H,27,31)(H,28,30,33)