butyl 4-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(5-chloro-2-methyl-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-chloro-2-methylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C19H21ClN2O2S/c1-3-4-11-24-18(23)14-6-9-16(10-7-14)21-19(25)22-17-12-15(20)8-5-13(17)2/h5-10,12H,3-4,11H2,1-2H3,(H2,21,22,25)