tert-butyl N-[1-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylcarbamoyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[1-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylcarbamoyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C32H40N4O5S MolecularWeight: 592.7488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC1=C(C=CC2=C1CCCC2=O)OC(CN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC1=C(C=CC2=C1CCCC2=O)OC(CN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H40N4O5S/c1-32(2,3)41-31(39)35-26(15-18-42-4)30(38)34-19-25-23-11-8-12-27(37)24(23)13-14-28(25)40-29(20-36-17-16-33-21-36)22-9-6-5-7-10-22/h5-7,9-10,13-14,16-17,21,26,29H,8,11-12,15,18-20H2,1-4H3,(H,34,38)(H,35,39)