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

Systemtic Name: methyl N-[(4-butylsulfanyl-2-nitro-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(4-butylsulfanyl-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[[4-(butylthio)-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(4-butylsulfanyl-2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[[4-(butylthio)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S2/c1-3-4-7-22-9-5-6-10(11(8-9)16(18)19)14-12(21)15-13(17)20-2/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,17,21)