(3S)-3-(4-tert-butylphenyl)sulfanylazepan-2-one

Systemtic Name: (3S)-3-(4-tert-butylphenyl)sulfanylazepan-2-one Openeye Name: (3S)-3-(4-tert-butylphenyl)sulfanylazepan-2-one CAS Name: (3S)-3-[(4-tert-butylphenyl)thio]-2-azepanone IUPAC Name: (3S)-3-(4-tert-butylphenyl)sulfanylazepan-2-one Traditional Name: (3S)-3-[(4-tert-butylphenyl)thio]azepan-2-one Formula: C16H23NOS MolecularWeight: 277.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2CCCCNC2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S[C@H]2CCCCNC2=O

InChI

InChI=1S/C16H23NOS/c1-16(2,3)12-7-9-13(10-8-12)19-14-6-4-5-11-17-15(14)18/h7-10,14H,4-6,11H2,1-3H3,(H,17,18)/t14-/m0/s1