methyl N-[[2-nitro-4-(phenylmethylsulfanyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-nitro-4-(phenylmethylsulfanyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[(4-benzylsulfanyl-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-nitro-4-(phenylmethylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(4-benzylsulfanyl-2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[[4-(benzylthio)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S2/c1-23-16(20)18-15(24)17-13-8-7-12(9-14(13)19(21)22)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,20,24)