2-(2-pyridin-2-ylethylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(2-pyridin-2-ylethylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[2-(2-pyridyl)ethylcarbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[oxo-[2-(2-pyridinyl)ethylamino]methyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2-pyridin-2-ylethylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-[2-(2-pyridyl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCC4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCC4=CC=CC=N4)C

InChI

InChI=1S/C25H25N5O2S/c1-15-12-16(2)22(17(3)13-15)29-23(31)18-7-8-20-21(14-18)33-25(28-20)30-24(32)27-11-9-19-6-4-5-10-26-19/h4-8,10,12-14H,9,11H2,1-3H3,(H,29,31)(H2,27,28,30,32)