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

Systemtic Name: 6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-[(4-cyclohexylphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-[(4-cyclohexylphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)C

InChI

InChI=1S/C26H33NO3S/c1-26(2)23-18-21(12-15-24(23)27-25(28)30-26)29-16-6-7-17-31-22-13-10-20(11-14-22)19-8-4-3-5-9-19/h10-15,18-19H,3-9,16-17H2,1-2H3,(H,27,28)