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

Systemtic Name: methyl N-[methyl-(2-nitro-4-propoxy-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[methyl-(2-nitro-4-propoxy-phenyl)carbamothioyl]carbamate CAS Name: N-[(N-methyl-2-nitro-4-propoxyanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[methyl-(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate Traditional Name: N-[methyl-(2-nitro-4-propoxy-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)N(C)C(=S)NC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC(=C(C=C1)N(C)C(=S)NC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-4-7-21-9-5-6-10(11(8-9)16(18)19)15(2)12(22)14-13(17)20-3/h5-6,8H,4,7H2,1-3H3,(H,14,17,22)