methyl N-[(2-nitro-5-propylsulfanyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-nitro-5-propylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-nitro-5-propylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-nitro-5-(propylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-nitro-5-propylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-nitro-5-(propylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C12H15N3O4S2 MolecularWeight: 329.3952

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)OC

InChI

InChI=1S/C12H15N3O4S2/c1-3-6-21-8-4-5-10(15(17)18)9(7-8)13-11(20)14-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16,20)