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

Systemtic Name: tert-butyl N-[6-[2-(naphthalen-2-ylmethylamino)ethylcarbamoyl]-1,3-benzothiazol-2-yl]carbamate Openeye Name: tert-butyl N-[6-[2-(2-naphthylmethylamino)ethylcarbamoyl]-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[6-[[2-(2-naphthalenylmethylamino)ethylamino]-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[2-(naphthalen-2-ylmethylamino)ethylcarbamoyl]-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[6-[2-(2-naphthylmethylamino)ethylcarbamoyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NCCNCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NCCNCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N4O3S/c1-26(2,3)33-25(32)30-24-29-21-11-10-20(15-22(21)34-24)23(31)28-13-12-27-16-17-8-9-18-6-4-5-7-19(18)14-17/h4-11,14-15,27H,12-13,16H2,1-3H3,(H,28,31)(H,29,30,32)