N-[[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]phenyl]thiocarbamoyl]propionamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-5-20(26)25-22(29)24-17-9-7-16(8-10-17)23-21(27)13-28-19-12-15(4)6-11-18(19)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,23,27)(H2,24,25,26,29)