N-[4-[[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-4-5-19(27)23-17-10-8-16(9-11-17)21(29)25-26-22(31)24-20(28)13-30-18-12-14(2)6-7-15(18)3/h6-12H,4-5,13H2,1-3H3,(H,23,27)(H,25,29)(H2,24,26,28,31)