tert-butyl N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C23H28N4O3S/c1-23(2,3)30-22(29)24-16-9-7-8-15(14-16)21(28)27-19(12-13-31-4)20-25-17-10-5-6-11-18(17)26-20/h5-11,14,19H,12-13H2,1-4H3,(H,24,29)(H,25,26)(H,27,28)/t19-/m0/s1