1-[7-[cyclohexyl(oxidanyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[7-[cyclohexyl(oxidanyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[7-[cyclohexyl(hydroxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[7-[cyclohexyl(hydroxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[7-[cyclohexyl(hydroxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenylsulfanylethanone Traditional Name: 1-[7-[cyclohexyl(hydroxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(phenylthio)ethanone Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC3=C(C=C2)OCCN(C3)C(=O)CSC4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC3=C(C=C2)OCCN(C3)C(=O)CSC4=CC=CC=C4)O

InChI

InChI=1S/C24H29NO3S/c26-23(17-29-21-9-5-2-6-10-21)25-13-14-28-22-12-11-19(15-20(22)16-25)24(27)18-7-3-1-4-8-18/h2,5-6,9-12,15,18,24,27H,1,3-4,7-8,13-14,16-17H2