methyl N-[[2-azanyl-4-(2-phenoxyethylsulfinyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-azanyl-4-(2-phenoxyethylsulfinyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-amino-4-(2-phenoxyethylsulfinyl)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-amino-4-(2-phenoxyethylsulfinyl)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-amino-4-(2-phenoxyethylsulfinyl)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-amino-4-(2-phenoxyethylsulfinyl)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCOC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCOC2=CC=CC=C2)N

InChI

InChI=1S/C17H19N3O4S2/c1-23-17(21)20-16(25)19-15-8-7-13(11-14(15)18)26(22)10-9-24-12-5-3-2-4-6-12/h2-8,11H,9-10,18H2,1H3,(H2,19,20,21,25)