4-(4-tert-butylphenoxy)-N-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[(3-chloro-4-methyl-phenyl)carbamothioyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[(3-chloro-4-methylphenyl)carbamothioyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]butyramide Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C)Cl

InChI

InChI=1S/C22H27ClN2O2S/c1-15-7-10-17(14-19(15)23)24-21(28)25-20(26)6-5-13-27-18-11-8-16(9-12-18)22(2,3)4/h7-12,14H,5-6,13H2,1-4H3,(H2,24,25,26,28)