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

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

InChI

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