S-(4-methyl-2-nitro-phenyl) N-[2-(3-methylphenoxy)ethyl]carbamothioate

Systemtic Name: S-(4-methyl-2-nitro-phenyl) N-[2-(3-methylphenoxy)ethyl]carbamothioate Openeye Name: S-(4-methyl-2-nitro-phenyl) N-[2-(3-methylphenoxy)ethyl]carbamothioate CAS Name: N-[2-(3-methylphenoxy)ethyl]carbamothioic acid S-(4-methyl-2-nitrophenyl) ester IUPAC Name: S-(4-methyl-2-nitrophenyl) N-[2-(3-methylphenoxy)ethyl]carbamothioate Traditional Name: N-[2-(3-methylphenoxy)ethyl]thiocarbamic acid S-(4-methyl-2-nitro-phenyl) ester Formula: C17H18N2O4S MolecularWeight: 346.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-12-4-3-5-14(10-12)23-9-8-18-17(20)24-16-7-6-13(2)11-15(16)19(21)22/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)