butyl 4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(2-chloro-5-methylsulfanyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[[2-chloro-5-(methylthio)benzoyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C20H21ClN2O3S2 MolecularWeight: 436.97534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3S2/c1-3-4-11-26-19(25)13-5-7-14(8-6-13)22-20(27)23-18(24)16-12-15(28-2)9-10-17(16)21/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23,24,27)