N-[2-(naphthalen-2-ylmethylamino)ethyl]-2-[(phenylmethyl)amino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(naphthalen-2-ylmethylamino)ethyl]-2-[(phenylmethyl)amino]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(benzylamino)-N-[2-(2-naphthylmethylamino)ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(2-naphthalenylmethylamino)ethyl]-2-[(phenylmethyl)amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(benzylamino)-N-[2-(naphthalen-2-ylmethylamino)ethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(benzylamino)-N-[2-(2-naphthylmethylamino)ethyl]-1,3-benzothiazole-6-carboxamide Formula: C28H26N4OS MolecularWeight: 466.59724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC3=C(S2)C=C(C=C3)C(=O)NCCNCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC3=C(S2)C=C(C=C3)C(=O)NCCNCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H26N4OS/c33-27(30-15-14-29-18-21-10-11-22-8-4-5-9-23(22)16-21)24-12-13-25-26(17-24)34-28(32-25)31-19-20-6-2-1-3-7-20/h1-13,16-17,29H,14-15,18-19H2,(H,30,33)(H,31,32)