N-[4-[[2-(imidazol-1-ylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]ethanamide

Systemtic Name: N-[4-[[2-(imidazol-1-ylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[[2-(imidazol-1-ylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]acetamide CAS Name: N-[4-[[2-(1-imidazolylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylthio]phenyl]acetamide IUPAC Name: N-[4-[[2-(imidazol-1-ylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]acetamide Traditional Name: N-[4-[[2-(imidazol-1-ylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylthio]phenyl]acetamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2COC(O2)(CCC3=CC=CC=C3)CN4C=CN=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2COC(O2)(CCC3=CC=CC=C3)CN4C=CN=C4

InChI

InChI=1S/C24H27N3O3S/c1-19(28)26-21-7-9-23(10-8-21)31-16-22-15-29-24(30-22,17-27-14-13-25-18-27)12-11-20-5-3-2-4-6-20/h2-10,13-14,18,22H,11-12,15-17H2,1H3,(H,26,28)