tert-butyl N-[(2S)-1-(2-oxidanylidene-3H-benzimidazol-1-yl)-3-(4-phenylmethoxyphenyl)-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(2-oxidanylidene-3H-benzimidazol-1-yl)-3-(4-phenylmethoxyphenyl)-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4-benzyloxyphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-2-thioxo-ethyl]carbamate CAS Name: N-[(2S)-1-(2-oxo-3H-benzimidazol-1-yl)-3-(4-phenylmethoxyphenyl)-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(2-oxo-3H-benzimidazol-1-yl)-3-(4-phenylmethoxyphenyl)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(4-benzoxybenzyl)-2-(2-keto-3H-benzimidazol-1-yl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=S)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=S)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C28H29N3O4S/c1-28(2,3)35-27(33)30-23(25(36)31-24-12-8-7-11-22(24)29-26(31)32)17-19-13-15-21(16-14-19)34-18-20-9-5-4-6-10-20/h4-16,23H,17-18H2,1-3H3,(H,29,32)(H,30,33)/t23-/m0/s1