4,4-dicyclohexyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4-dicyclohexyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dicyclohexyl-6-[4-(p-tolylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dicyclohexyl-6-[4-[(4-methylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dicyclohexyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dicyclohexyl-6-[4-(p-tolylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C31H41NO3S MolecularWeight: 507.72714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCOC2=CC3=C(C=C2)NC(=O)OC3(C4CCCCC4)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCOC2=CC3=C(C=C2)NC(=O)OC3(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C31H41NO3S/c1-23-14-17-27(18-15-23)36-21-9-8-20-34-26-16-19-29-28(22-26)31(35-30(33)32-29,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h14-19,22,24-25H,2-13,20-21H2,1H3,(H,32,33)