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

Systemtic Name: 3-methyl-N-[4-[[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O6S/c1-13(2)11-18(27)22-15-5-3-14(4-6-15)20(29)24-25-21(33)23-19(28)12-32-17-9-7-16(8-10-17)26(30)31/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,24,29)(H2,23,25,28,33)