tert-butyl N-[4-[[3-[(3-propan-2-ylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[[3-[(3-propan-2-ylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[4-[[3-[(3-isopropylphenyl)carbamoyl]-2-pyridyl]sulfanylmethyl]-2-pyridyl]carbamate CAS Name: N-[4-[[[3-[oxo-(3-propan-2-ylanilino)methyl]-2-pyridinyl]thio]methyl]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[3-[(3-propan-2-ylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate Traditional Name: N-[4-[[[3-(m-cumenylcarbamoyl)-2-pyridyl]thio]methyl]-2-pyridyl]carbamic acid tert-butyl ester Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H30N4O3S/c1-17(2)19-8-6-9-20(15-19)29-23(31)21-10-7-12-28-24(21)34-16-18-11-13-27-22(14-18)30-25(32)33-26(3,4)5/h6-15,17H,16H2,1-5H3,(H,29,31)(H,27,30,32)