3-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[1-(4-isopropylphenyl)imidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[1-(4-propan-2-ylphenyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: 3-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[(1-p-cumenylimidazol-2-yl)thio]azepan-2-one Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=CN=C2SC3CCCCNC3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=CN=C2SC3CCCCNC3=O

InChI

InChI=1S/C18H23N3OS/c1-13(2)14-6-8-15(9-7-14)21-12-11-20-18(21)23-16-5-3-4-10-19-17(16)22/h6-9,11-13,16H,3-5,10H2,1-2H3,(H,19,22)