N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-6-yl]-3-(naphthalen-2-ylmethylamino)cyclohexane-1-carboxamide

Systemtic Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-6-yl]-3-(naphthalen-2-ylmethylamino)cyclohexane-1-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-6-yl]-3-(2-naphthylmethylamino)cyclohexanecarboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-6-yl]-3-(2-naphthalenylmethylamino)-1-cyclohexanecarboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-6-yl]-3-(naphthalen-2-ylmethylamino)cyclohexane-1-carboxamide Traditional Name: N-[2-(isobutyrylamino)-1,3-benzothiazol-6-yl]-3-(2-naphthylmethylamino)cyclohexanecarboxamide Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCC(C3)NCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCC(C3)NCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H32N4O2S/c1-18(2)27(34)33-29-32-25-13-12-24(16-26(25)36-29)31-28(35)22-8-5-9-23(15-22)30-17-19-10-11-20-6-3-4-7-21(20)14-19/h3-4,6-7,10-14,16,18,22-23,30H,5,8-9,15,17H2,1-2H3,(H,31,35)(H,32,33,34)