N-[4-[[2-(2-chloranylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[2-(2-chloranylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[2-(2-chlorophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=CC=CC=C2Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=CC=CC=C2Cl

InChI

InChI=1S/C20H21ClN4O4S/c1-2-5-17(26)22-14-10-8-13(9-11-14)19(28)24-25-20(30)23-18(27)12-29-16-7-4-3-6-15(16)21/h3-4,6-11H,2,5,12H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,30)