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

Systemtic Name: methyl N-[[4-(2-ethylsulfanylethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-(2-ethylsulfanylethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate CAS Name: N-[[4-[2-(ethylthio)ethylthio]-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-(2-ethylsulfanylethylsulfanyl)-2-nitrophenyl]carbamothioyl]carbamate Traditional Name: N-[[4-[2-(ethylthio)ethylthio]-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H17N3O4S3 MolecularWeight: 375.48678

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCSCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S3/c1-3-22-6-7-23-9-4-5-10(11(8-9)16(18)19)14-12(21)15-13(17)20-2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15,17,21)