2-[methyl(3-phenylpropanoylcarbamothioyl)amino]-N-phenethyl-benzamide

Systemtic Name: 2-[methyl(3-phenylpropanoylcarbamothioyl)amino]-N-phenethyl-benzamide Openeye Name: 2-[methyl(3-phenylpropanoylcarbamothioyl)amino]-N-phenethyl-benzamide CAS Name: 2-[methyl-[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[methyl(3-phenylpropanoylcarbamothioyl)amino]-N-phenethylbenzamide Traditional Name: 2-[hydrocinnamoylthiocarbamoyl(methyl)amino]-N-phenethyl-benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O2S/c1-29(26(32)28-24(30)17-16-20-10-4-2-5-11-20)23-15-9-8-14-22(23)25(31)27-19-18-21-12-6-3-7-13-21/h2-15H,16-19H2,1H3,(H,27,31)(H,28,30,32)