6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-[(4-cyclohexylphenyl)thio]butoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-[(4-cyclohexylphenyl)thio]butoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one Formula: C28H37NO3S MolecularWeight: 467.66328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)OCCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)OCCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)CC

InChI

InChI=1S/C28H37NO3S/c1-3-28(4-2)25-20-23(14-17-26(25)29-27(30)32-28)31-18-8-9-19-33-24-15-12-22(13-16-24)21-10-6-5-7-11-21/h12-17,20-21H,3-11,18-19H2,1-2H3,(H,29,30)