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

Systemtic Name: tert-butyl N-[4-[[3-[(4-tert-butylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[4-[[3-[(4-tert-butylphenyl)carbamoyl]-2-pyridyl]sulfanylmethyl]-2-pyridyl]carbamate CAS Name: N-[4-[[[3-[(4-tert-butylanilino)-oxomethyl]-2-pyridinyl]thio]methyl]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[3-[(4-tert-butylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate Traditional Name: N-[4-[[[3-[(4-tert-butylphenyl)carbamoyl]-2-pyridyl]thio]methyl]-2-pyridyl]carbamic acid tert-butyl ester Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3S/c1-26(2,3)19-9-11-20(12-10-19)30-23(32)21-8-7-14-29-24(21)35-17-18-13-15-28-22(16-18)31-25(33)34-27(4,5)6/h7-16H,17H2,1-6H3,(H,30,32)(H,28,31,33)