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

Systemtic Name: N-[6-[2-(naphthalen-2-ylmethylamino)ethanoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[6-[[2-(2-naphthylmethylamino)acetyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[6-[[2-(2-naphthalenylmethylamino)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[6-[[2-(naphthalen-2-ylmethylamino)acetyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[6-[[2-(2-naphthylmethylamino)acetyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CNCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CNCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H28N4O2S/c32-25(17-28-16-18-10-11-19-6-4-5-9-21(19)14-18)29-22-12-13-23-24(15-22)34-27(30-23)31-26(33)20-7-2-1-3-8-20/h4-6,9-15,20,28H,1-3,7-8,16-17H2,(H,29,32)(H,30,31,33)