2,4-dimethylpentan-3-yl 2-chloranyl-5-(1H-pyrrol-2-ylcarbothioylamino)benzoate

Systemtic Name: 2,4-dimethylpentan-3-yl 2-chloranyl-5-(1H-pyrrol-2-ylcarbothioylamino)benzoate Openeye Name: (1-isopropyl-2-methyl-propyl) 2-chloro-5-(1H-pyrrole-2-carbothioylamino)benzoate CAS Name: 2-chloro-5-[[1H-pyrrol-2-yl(sulfanylidene)methyl]amino]benzoic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl 2-chloro-5-(1H-pyrrole-2-carbothioylamino)benzoate Traditional Name: 2-chloro-5-(1H-pyrrole-2-carbothioylamino)benzoic acid (1-isopropyl-2-methyl-propyl) ester Formula: C19H23ClN2O2S MolecularWeight: 378.91612

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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=CN2)Cl

Isomeric SMILES

CC(C)C(C(C)C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CN2)Cl

InChI

InChI=1S/C19H23ClN2O2S/c1-11(2)17(12(3)4)24-19(23)14-10-13(7-8-15(14)20)22-18(25)16-6-5-9-21-16/h5-12,17,21H,1-4H3,(H,22,25)