tert-butyl N-[4-[6-(thian-4-ylamino)pyridin-3-yl]naphthalen-1-yl]carbamate

Systemtic Name: tert-butyl N-[4-[6-(thian-4-ylamino)pyridin-3-yl]naphthalen-1-yl]carbamate Openeye Name: tert-butyl N-[4-[6-(tetrahydrothiopyran-4-ylamino)-3-pyridyl]-1-naphthyl]carbamate CAS Name: N-[4-[6-(4-thianylamino)-3-pyridinyl]-1-naphthalenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[6-(thian-4-ylamino)pyridin-3-yl]naphthalen-1-yl]carbamate Traditional Name: N-[4-[6-(tetrahydrothiopyran-4-ylamino)-3-pyridyl]-1-naphthyl]carbamic acid tert-butyl ester Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C2=CC=CC=C21)C3=CN=C(C=C3)NC4CCSCC4

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C2=CC=CC=C21)C3=CN=C(C=C3)NC4CCSCC4

InChI

InChI=1S/C25H29N3O2S/c1-25(2,3)30-24(29)28-22-10-9-19(20-6-4-5-7-21(20)22)17-8-11-23(26-16-17)27-18-12-14-31-15-13-18/h4-11,16,18H,12-15H2,1-3H3,(H,26,27)(H,28,29)