methyl N-[[2-acetamido-4-(phenylsulfinyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-acetamido-4-(phenylsulfinyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-acetamido-4-(benzenesulfinyl)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-acetamido-4-(benzenesulfinyl)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-acetamido-4-(benzenesulfinyl)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-acetamido-4-(benzenesulfinyl)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S2/c1-11(21)18-15-10-13(26(23)12-6-4-3-5-7-12)8-9-14(15)19-16(25)20-17(22)24-2/h3-10H,1-2H3,(H,18,21)(H2,19,20,22,25)