N-[[2-(4-cyanophenoxy)ethanoylamino]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[2-(4-cyanophenoxy)ethanoylamino]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[[2-(4-cyanophenoxy)acetyl]amino]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[2-(4-cyanophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[[2-(4-cyanophenoxy)acetyl]amino]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[[2-(4-cyanophenoxy)acetyl]amino]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H15N5O5S/c1-11-14(3-2-4-15(11)23(26)27)17(25)20-18(29)22-21-16(24)10-28-13-7-5-12(9-19)6-8-13/h2-8H,10H2,1H3,(H,21,24)(H2,20,22,25,29)