4-(4-chloranylphenoxy)-N-[(2-methyl-6-propan-2-yl-phenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-chloranylphenoxy)-N-[(2-methyl-6-propan-2-yl-phenyl)carbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[(2-isopropyl-6-methyl-phenyl)carbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[(2-methyl-6-propan-2-ylanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-[(2-isopropyl-6-methyl-phenyl)thiocarbamoyl]butyramide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2S/c1-14(2)18-7-4-6-15(3)20(18)24-21(27)23-19(25)8-5-13-26-17-11-9-16(22)10-12-17/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H2,23,24,25,27)