N-[3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]phenyl]valeramide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c1-5-6-10-22(28)25-18-8-7-9-19(14-18)26-24(31)27-23(29)15-30-21-13-17(4)11-12-20(21)16(2)3/h7-9,11-14,16H,5-6,10,15H2,1-4H3,(H,25,28)(H2,26,27,29,31)