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

Systemtic Name: 4,4-dicyclohexyl-6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dicyclohexyl-6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dicyclohexyl-6-[4-[(4-cyclohexylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dicyclohexyl-6-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dicyclohexyl-6-[4-[(4-cyclohexylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one Formula: C36H49NO3S MolecularWeight: 575.84416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)SCCCCOC3=CC4=C(C=C3)NC(=O)OC4(C5CCCCC5)C6CCCCC6

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)SCCCCOC3=CC4=C(C=C3)NC(=O)OC4(C5CCCCC5)C6CCCCC6

InChI

InChI=1S/C36H49NO3S/c38-35-37-34-23-20-31(26-33(34)36(40-35,29-14-6-2-7-15-29)30-16-8-3-9-17-30)39-24-10-11-25-41-32-21-18-28(19-22-32)27-12-4-1-5-13-27/h18-23,26-27,29-30H,1-17,24-25H2,(H,37,38)