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

Systemtic Name: methyl N-[(2-nitro-4-pentylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-nitro-4-pentylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-nitro-4-(pentylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-nitro-4-pentylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[4-(amylthio)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H19N3O4S2 MolecularWeight: 357.44836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4S2/c1-3-4-5-8-23-10-6-7-11(12(9-10)17(19)20)15-13(22)16-14(18)21-2/h6-7,9H,3-5,8H2,1-2H3,(H2,15,16,18,22)