tert-butyl N-[6-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[6-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[6-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]-2-pyridyl]carbamate CAS Name: N-[6-[[2-(1,2-benzothiazol-3-ylamino)ethylamino]-oxomethyl]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]pyridin-2-yl]carbamate Traditional Name: N-[6-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]-2-pyridyl]carbamic acid tert-butyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=N1)C(=O)NCCNC2=NSC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=N1)C(=O)NCCNC2=NSC3=CC=CC=C32

InChI

InChI=1S/C20H23N5O3S/c1-20(2,3)28-19(27)24-16-10-6-8-14(23-16)18(26)22-12-11-21-17-13-7-4-5-9-15(13)29-25-17/h4-10H,11-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24,27)