N-[2-(cyanomethoxy)-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]benzamide

Systemtic Name: N-[2-(cyanomethoxy)-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]benzamide Openeye Name: N-[2-(cyanomethoxy)-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]benzamide CAS Name: N-[2-(cyanomethoxy)-4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[2-(cyanomethoxy)-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]benzamide Traditional Name: N-[2-(cyanomethoxy)-4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]phenyl]benzamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3)OCC#N

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3)OCC#N

InChI

InChI=1S/C25H21N5O2S/c1-17(19-9-7-18(16-27)8-10-19)28-25(33)29-21-11-12-22(23(15-21)32-14-13-26)30-24(31)20-5-3-2-4-6-20/h2-12,15,17H,14H2,1H3,(H,30,31)(H2,28,29,33)