N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c23-16(11-6-13-4-2-1-3-5-13)19-18(28)21-20-17(24)12-27-15-9-7-14(8-10-15)22(25)26/h1-5,7-10H,6,11-12H2,(H,20,24)(H2,19,21,23,28)