N-[6-[3-(naphthalen-2-ylmethylamino)propanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[3-(naphthalen-2-ylmethylamino)propanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[6-[3-(2-naphthylmethylamino)propanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[6-[[3-(2-naphthalenylmethylamino)-1-oxopropyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[6-[3-(naphthalen-2-ylmethylamino)propanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[6-[3-(2-naphthylmethylamino)propanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CCNCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CCNCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H30N4O2S/c33-26(14-15-29-18-19-10-11-20-6-4-5-9-22(20)16-19)30-23-12-13-24-25(17-23)35-28(31-24)32-27(34)21-7-2-1-3-8-21/h4-6,9-13,16-17,21,29H,1-3,7-8,14-15,18H2,(H,30,33)(H,31,32,34)