tert-butyl N-[[1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-4-phenyl-piperidin-4-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-4-phenyl-piperidin-4-yl]methyl]carbamate Openeye Name: tert-butyl N-[[1-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-4-phenyl-4-piperidyl]methyl]carbamate CAS Name: N-[[1-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-4-phenyl-4-piperidinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]-4-phenylpiperidin-4-yl]methyl]carbamate Traditional Name: N-[[1-[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]-4-phenyl-4-piperidyl]methyl]carbamic acid tert-butyl ester Formula: C33H37BrN4O3S MolecularWeight: 649.64088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1(CCN(CC1)C2=NC3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)Br)OC)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NCC1(CCN(CC1)C2=NC3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)Br)OC)C5=CC=CC=C5

InChI

InChI=1S/C33H37BrN4O3S/c1-32(2,3)41-31(39)35-22-33(24-10-6-5-7-11-24)16-18-38(19-17-33)29-30(37-27-13-9-8-12-26(27)36-29)42-21-23-20-25(34)14-15-28(23)40-4/h5-15,20H,16-19,21-22H2,1-4H3,(H,35,39)