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

Systemtic Name: methyl N-[(4-ethylsulfanyl-2-nitro-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(4-ethylsulfanyl-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[[4-(ethylthio)-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(4-ethylsulfanyl-2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[[4-(ethylthio)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C11H13N3O4S2 MolecularWeight: 315.36862

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O4S2/c1-3-20-7-4-5-8(9(6-7)14(16)17)12-10(19)13-11(15)18-2/h4-6H,3H2,1-2H3,(H2,12,13,15,19)