tert-butyl N-[4-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]phenyl]carbamate CAS Name: N-[4-[[[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[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=C(C=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

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

InChI

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