S-(4-chlorophenyl) N-(4-methyl-2-nitro-phenyl)carbamothioate

Systemtic Name: S-(4-chlorophenyl) N-(4-methyl-2-nitro-phenyl)carbamothioate Openeye Name: S-(4-chlorophenyl) N-(4-methyl-2-nitro-phenyl)carbamothioate CAS Name: N-(4-methyl-2-nitrophenyl)carbamothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) N-(4-methyl-2-nitrophenyl)carbamothioate Traditional Name: N-(4-methyl-2-nitro-phenyl)thiocarbamic acid S-(4-chlorophenyl) ester Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN2O3S/c1-9-2-7-12(13(8-9)17(19)20)16-14(18)21-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,18)