N-[3-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[3-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[2-(4-tert-butylphenoxy)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=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

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

InChI

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