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

Systemtic Name: 4,4-dicyclohexyl-6-[4-(3,4-dichlorophenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dicyclohexyl-6-[4-(3,4-dichlorophenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dicyclohexyl-6-[4-[(3,4-dichlorophenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dicyclohexyl-6-[4-(3,4-dichlorophenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dicyclohexyl-6-[4-[(3,4-dichlorophenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one Formula: C30H37Cl2NO3S MolecularWeight: 562.59068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(C3=C(C=CC(=C3)OCCCCSC4=CC(=C(C=C4)Cl)Cl)NC(=O)O2)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)C2(C3=C(C=CC(=C3)OCCCCSC4=CC(=C(C=C4)Cl)Cl)NC(=O)O2)C5CCCCC5

InChI

InChI=1S/C30H37Cl2NO3S/c31-26-15-14-24(20-27(26)32)37-18-8-7-17-35-23-13-16-28-25(19-23)30(36-29(34)33-28,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h13-16,19-22H,1-12,17-18H2,(H,33,34)