2,4-dimethylpentan-3-yl 5-(benzenecarbonothioylamino)-2-chloranyl-benzoate

Systemtic Name: 2,4-dimethylpentan-3-yl 5-(benzenecarbonothioylamino)-2-chloranyl-benzoate Openeye Name: (1-isopropyl-2-methyl-propyl) 5-(benzenecarbonothioylamino)-2-chloro-benzoate CAS Name: 5-(benzenecarbonothioylamino)-2-chlorobenzoic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl 5-(benzenecarbonothioylamino)-2-chlorobenzoate Traditional Name: 5-(benzenecarbonothioylamino)-2-chloro-benzoic acid (1-isopropyl-2-methyl-propyl) ester Formula: C21H24ClNO2S MolecularWeight: 389.93876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO2S/c1-13(2)19(14(3)4)25-21(24)17-12-16(10-11-18(17)22)23-20(26)15-8-6-5-7-9-15/h5-14,19H,1-4H3,(H,23,26)