2-[3-[[4-(2-acetamidoethyl)imidazol-1-yl]methyl]-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate

Systemtic Name: 2-[3-[[4-(2-acetamidoethyl)imidazol-1-yl]methyl]-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[3-[[4-(2-acetamidoethyl)imidazol-1-yl]methyl]-2-methyl-phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[3-[[4-(2-acetamidoethyl)-1-imidazolyl]methyl]-2-methylphenyl]thio]ethyl ester IUPAC Name: 2-[3-[[4-(2-acetamidoethyl)imidazol-1-yl]methyl]-2-methylphenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[3-[[4-(2-acetamidoethyl)imidazol-1-yl]methyl]-2-methyl-phenyl]thio]ethyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3S/c1-18-20(15-28-16-22(26-17-28)11-12-25-19(2)29)7-6-10-23(18)32-14-13-31-24(30)27-21-8-4-3-5-9-21/h3-10,16-17H,11-15H2,1-2H3,(H,25,29)(H,27,30)