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

Systemtic Name: N-[4-chloranyl-3-[2-(2-nitrophenoxy)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(2-nitrophenoxy)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C19H19ClN4O5S MolecularWeight: 450.89596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O5S/c1-2-5-17(25)21-12-8-9-13(20)14(10-12)22-19(30)23-18(26)11-29-16-7-4-3-6-15(16)24(27)28/h3-4,6-10H,2,5,11H2,1H3,(H,21,25)(H2,22,23,26,30)