methyl N-[[2-acetamido-5-(4-chlorophenyl)sulfinyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-acetamido-5-(4-chlorophenyl)sulfinyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-acetamido-5-(4-chlorophenyl)sulfinyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-acetamido-5-(4-chlorophenyl)sulfinylanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-acetamido-5-(4-chlorophenyl)sulfinylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-acetamido-5-(4-chlorophenyl)sulfinyl-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H16ClN3O4S2 MolecularWeight: 425.90964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)C2=CC=C(C=C2)Cl)NC(=S)NC(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)C2=CC=C(C=C2)Cl)NC(=S)NC(=O)OC

InChI

InChI=1S/C17H16ClN3O4S2/c1-10(22)19-14-8-7-13(27(24)12-5-3-11(18)4-6-12)9-15(14)20-16(26)21-17(23)25-2/h3-9H,1-2H3,(H,19,22)(H2,20,21,23,26)