(4-methyl-3-nitro-phenyl) N-(3-phenylsulfanylpropyl)carbamate

Systemtic Name: (4-methyl-3-nitro-phenyl) N-(3-phenylsulfanylpropyl)carbamate Openeye Name: (4-methyl-3-nitro-phenyl) N-(3-phenylsulfanylpropyl)carbamate CAS Name: N-[3-(phenylthio)propyl]carbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: (4-methyl-3-nitrophenyl) N-(3-phenylsulfanylpropyl)carbamate Traditional Name: N-[3-(phenylthio)propyl]carbamic acid (4-methyl-3-nitro-phenyl) ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)NCCCSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)NCCCSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4S/c1-13-8-9-14(12-16(13)19(21)22)23-17(20)18-10-5-11-24-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,20)