2-[[phenylcarbamoyl(propan-2-yl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[phenylcarbamoyl(propan-2-yl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[isopropyl(phenylcarbamoyl)amino]methyl]-N-(3-pyridylmethyl)thiazole-4-carboxamide CAS Name: 2-[[[anilino(oxo)methyl]-propan-2-ylamino]methyl]-N-(3-pyridinylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-[[phenylcarbamoyl(propan-2-yl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[isopropyl(phenylcarbamoyl)amino]methyl]-N-(3-pyridylmethyl)thiazole-4-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=CS1)C(=O)NCC2=CN=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=NC(=CS1)C(=O)NCC2=CN=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-15(2)26(21(28)24-17-8-4-3-5-9-17)13-19-25-18(14-29-19)20(27)23-12-16-7-6-10-22-11-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,27)(H,24,28)