S-(phenylmethyl) N-(2-methyl-5-nitro-phenyl)carbamothioate

Systemtic Name: S-(phenylmethyl) N-(2-methyl-5-nitro-phenyl)carbamothioate Openeye Name: S-benzyl N-(2-methyl-5-nitro-phenyl)carbamothioate CAS Name: N-(2-methyl-5-nitrophenyl)carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-(2-methyl-5-nitrophenyl)carbamothioate Traditional Name: N-(2-methyl-5-nitro-phenyl)thiocarbamic acid S-benzyl ester Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)SCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C15H14N2O3S/c1-11-7-8-13(17(19)20)9-14(11)16-15(18)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,18)