2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]-N-phenethyl-thiazole-4-carboxamide CAS Name: 2-[[[(2,6-dimethylanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]-N-phenethyl-thiazole-4-carboxamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N(CC2=NC(=CS2)C(=O)NCCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(CC2=NC(=CS2)C(=O)NCCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H30N4O2S/c1-17(2)29(25(31)28-23-18(3)9-8-10-19(23)4)15-22-27-21(16-32-22)24(30)26-14-13-20-11-6-5-7-12-20/h5-12,16-17H,13-15H2,1-4H3,(H,26,30)(H,28,31)