2,4-dimethylpentan-3-yl 2-chloranyl-5-[(1-methylpyrrol-2-yl)carbothioylamino]benzoate

Systemtic Name: 2,4-dimethylpentan-3-yl 2-chloranyl-5-[(1-methylpyrrol-2-yl)carbothioylamino]benzoate Openeye Name: (1-isopropyl-2-methyl-propyl) 2-chloro-5-[(1-methylpyrrole-2-carbothioyl)amino]benzoate CAS Name: 2-chloro-5-[[(1-methyl-2-pyrrolyl)-sulfanylidenemethyl]amino]benzoic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl 2-chloro-5-[(1-methylpyrrole-2-carbothioyl)amino]benzoate Traditional Name: 2-chloro-5-[(1-methylpyrrole-2-carbothioyl)amino]benzoic acid (1-isopropyl-2-methyl-propyl) ester Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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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=CN2C)Cl

Isomeric SMILES

CC(C)C(C(C)C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CN2C)Cl

InChI

InChI=1S/C20H25ClN2O2S/c1-12(2)18(13(3)4)25-20(24)15-11-14(8-9-16(15)21)22-19(26)17-7-6-10-23(17)5/h6-13,18H,1-5H3,(H,22,26)