N-[4-[[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClN4O4S/c1-13(2)11-18(27)23-16-7-3-14(4-8-16)20(29)25-26-21(31)24-19(28)12-30-17-9-5-15(22)6-10-17/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,31)