butyl N-[(4-butylsulfinyl-2-nitro-phenyl)carbamothioyl]carbamate

Systemtic Name: butyl N-[(4-butylsulfinyl-2-nitro-phenyl)carbamothioyl]carbamate Openeye Name: butyl N-[(4-butylsulfinyl-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[(4-butylsulfinyl-2-nitroanilino)-sulfanylidenemethyl]carbamic acid butyl ester IUPAC Name: butyl N-[(4-butylsulfinyl-2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[(4-butylsulfinyl-2-nitro-phenyl)thiocarbamoyl]carbamic acid butyl ester Formula: C16H23N3O5S2 MolecularWeight: 401.50092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5S2/c1-3-5-9-24-16(20)18-15(25)17-13-8-7-12(11-14(13)19(21)22)26(23)10-6-4-2/h7-8,11H,3-6,9-10H2,1-2H3,(H2,17,18,20,25)