butyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(3-chloro-2-methyl-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-chloro-2-methylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-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/c1-3-4-12-24-18(23)14-8-10-15(11-9-14)21-19(25)22-17-7-5-6-16(20)13(17)2/h5-11H,3-4,12H2,1-2H3,(H2,21,22,25)