3-methyl-N-[4-[[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 3-methyl-N-[4-[[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 3-methyl-N-[4-[[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 3-methyl-N-[4-[[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C24H21N5O6S MolecularWeight: 507.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O6S/c1-15-3-2-4-17(13-15)22(31)25-18-7-5-16(6-8-18)23(32)27-28-24(36)26-21(30)14-35-20-11-9-19(10-12-20)29(33)34/h2-13H,14H2,1H3,(H,25,31)(H,27,32)(H2,26,28,30,36)