N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-15(2)18-11-9-16(3)13-19(18)28-14-21(27)24-25-22(29)23-20(26)12-10-17-7-5-4-6-8-17/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,24,27)(H2,23,25,26,29)