2-[2-methyl-3-[(2-propylimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate

Systemtic Name: 2-[2-methyl-3-[(2-propylimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[2-methyl-3-[(2-propylimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[2-methyl-3-[(2-propyl-1-imidazolyl)methyl]phenyl]thio]ethyl ester IUPAC Name: 2-[2-methyl-3-[(2-propylimidazol-1-yl)methyl]phenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[2-methyl-3-[(2-propylimidazol-1-yl)methyl]phenyl]thio]ethyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CN1CC2=C(C(=CC=C2)SCCOC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCCC1=NC=CN1CC2=C(C(=CC=C2)SCCOC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C23H27N3O2S/c1-3-8-22-24-13-14-26(22)17-19-9-7-12-21(18(19)2)29-16-15-28-23(27)25-20-10-5-4-6-11-20/h4-7,9-14H,3,8,15-17H2,1-2H3,(H,25,27)