N-[2-methoxy-4-[2-(2-nitrophenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[2-methoxy-4-[2-(2-nitrophenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[2-methoxy-4-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]phenyl]pentanamide CAS Name: N-[2-methoxy-4-[[[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[2-methoxy-4-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]phenyl]pentanamide Traditional Name: N-[2-methoxy-4-[[2-(2-nitrophenoxy)acetyl]thiocarbamoylamino]phenyl]valeramide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2[N+](=O)[O-])OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N4O6S/c1-3-4-9-19(26)23-15-11-10-14(12-18(15)30-2)22-21(32)24-20(27)13-31-17-8-6-5-7-16(17)25(28)29/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,26)(H2,22,24,27,32)