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

Systemtic Name: 2-(2-methylpropanoylamino)-N-[2-(naphthalen-2-ylmethylamino)ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2-methylpropanoylamino)-N-[2-(2-naphthylmethylamino)ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-N-[2-(2-naphthalenylmethylamino)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2-methylpropanoylamino)-N-[2-(naphthalen-2-ylmethylamino)ethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(isobutyrylamino)-N-[2-(2-naphthylmethylamino)ethyl]-1,3-benzothiazole-6-carboxamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2S/c1-16(2)23(30)29-25-28-21-10-9-20(14-22(21)32-25)24(31)27-12-11-26-15-17-7-8-18-5-3-4-6-19(18)13-17/h3-10,13-14,16,26H,11-12,15H2,1-2H3,(H,27,31)(H,28,29,30)