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

Systemtic Name: 3-(2-chlorophenyl)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]propionamide Formula: C18H17ClN4O5S MolecularWeight: 436.86938

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O5S/c19-15-4-2-1-3-12(15)5-10-16(24)20-18(29)22-21-17(25)11-28-14-8-6-13(7-9-14)23(26)27/h1-4,6-9H,5,10-11H2,(H,21,25)(H2,20,22,24,29)