N-[4-chloranyl-3-[2-(4-propan-2-ylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-[2-(4-propan-2-ylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[2-(4-isopropylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[2-(4-propan-2-ylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(4-isopropylphenoxy)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3S/c1-4-5-20(27)24-16-8-11-18(23)19(12-16)25-22(30)26-21(28)13-29-17-9-6-15(7-10-17)14(2)3/h6-12,14H,4-5,13H2,1-3H3,(H,24,27)(H2,25,26,28,30)