tert-butyl N-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(diphenylmethyl)sulfanyl-propanoyl]amino]carbamate

Systemtic Name: tert-butyl N-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(diphenylmethyl)sulfanyl-propanoyl]amino]carbamate Openeye Name: tert-butyl N-[[3-benzhydrylsulfanyl-2-(1,3-dioxoisoindolin-2-yl)propanoyl]amino]carbamate CAS Name: N-[[2-(1,3-dioxo-2-isoindolyl)-3-[(diphenylmethyl)thio]-1-oxopropyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-benzhydrylsulfanyl-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]carbamate Traditional Name: N-[[3-(benzhydrylthio)-2-phthalimido-propanoyl]amino]carbamic acid tert-butyl ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=O)C(CSC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=O)C(CSC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C29H29N3O5S/c1-29(2,3)37-28(36)31-30-25(33)23(32-26(34)21-16-10-11-17-22(21)27(32)35)18-38-24(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23-24H,18H2,1-3H3,(H,30,33)(H,31,36)