N-[4-chloranyl-3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O3S/c1-5-6-21(28)25-16-8-10-18(24)19(12-16)26-23(31)27-22(29)13-30-20-11-15(4)7-9-17(20)14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,25,28)(H2,26,27,29,31)