2-[3-(imidazol-1-ylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate

Systemtic Name: 2-[3-(imidazol-1-ylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[3-(imidazol-1-ylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[3-(1-imidazolylmethyl)-2-methylphenyl]thio]ethyl ester IUPAC Name: 2-[3-(imidazol-1-ylmethyl)-2-methylphenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[3-(imidazol-1-ylmethyl)-2-methyl-phenyl]thio]ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C=CN=C3

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C=CN=C3

InChI

InChI=1S/C20H21N3O2S/c1-16-17(14-23-11-10-21-15-23)6-5-9-19(16)26-13-12-25-20(24)22-18-7-3-2-4-8-18/h2-11,15H,12-14H2,1H3,(H,22,24)