4-(4-tert-butylphenoxy)-N-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[(5-chloro-2-methoxy-phenyl)carbamothioyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[(5-chloro-2-methoxyphenyl)carbamothioyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[(5-chloro-2-methoxy-phenyl)thiocarbamoyl]butyramide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C22H27ClN2O3S/c1-22(2,3)15-7-10-17(11-8-15)28-13-5-6-20(26)25-21(29)24-18-14-16(23)9-12-19(18)27-4/h7-12,14H,5-6,13H2,1-4H3,(H2,24,25,26,29)