N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoyl]caprylamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=C(C=CC(=C1)C)C(C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=C(C=CC(=C1)C)C(C)C

InChI

InChI=1S/C21H33N3O3S/c1-5-6-7-8-9-10-19(25)22-21(28)24-23-20(26)14-27-18-13-16(4)11-12-17(18)15(2)3/h11-13,15H,5-10,14H2,1-4H3,(H,23,26)(H2,22,24,25,28)