tert-butyl N-(1-benzothiophen-2-ylcarbonyl)-N-[3-[(1-methylimidazol-2-yl)methylamino]propyl]carbamate

Systemtic Name: tert-butyl N-(1-benzothiophen-2-ylcarbonyl)-N-[3-[(1-methylimidazol-2-yl)methylamino]propyl]carbamate Openeye Name: tert-butyl N-(benzothiophene-2-carbonyl)-N-[3-[(1-methylimidazol-2-yl)methylamino]propyl]carbamate CAS Name: N-[1-benzothiophen-2-yl(oxo)methyl]-N-[3-[(1-methyl-2-imidazolyl)methylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-benzothiophene-2-carbonyl)-N-[3-[(1-methylimidazol-2-yl)methylamino]propyl]carbamate Traditional Name: N-(benzothiophene-2-carbonyl)-N-[3-[(1-methylimidazol-2-yl)methylamino]propyl]carbamic acid tert-butyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCNCC1=NC=CN1C)C(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCNCC1=NC=CN1C)C(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C22H28N4O3S/c1-22(2,3)29-21(28)26(12-7-10-23-15-19-24-11-13-25(19)4)20(27)18-14-16-8-5-6-9-17(16)30-18/h5-6,8-9,11,13-14,23H,7,10,12,15H2,1-4H3