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

Systemtic Name: N-[4-chloranyl-3-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O5S/c1-2-3-17(25)21-12-4-9-15(20)16(10-12)22-19(30)23-18(26)11-29-14-7-5-13(6-8-14)24(27)28/h4-10H,2-3,11H2,1H3,(H,21,25)(H2,22,23,26,30)