2-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3-cyanophenyl)carbamoyl-isobutyl-amino]methyl]-N-isobutyl-thiazole-4-carboxamide CAS Name: 2-[[[(3-cyanoanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-4-thiazolecarboxamide IUPAC Name: 2-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3-cyanophenyl)carbamoyl-isobutyl-amino]methyl]-N-isobutyl-thiazole-4-carboxamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CSC(=N1)CN(CC(C)C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)CNC(=O)C1=CSC(=N1)CN(CC(C)C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H27N5O2S/c1-14(2)10-23-20(27)18-13-29-19(25-18)12-26(11-15(3)4)21(28)24-17-7-5-6-16(8-17)9-22/h5-8,13-15H,10-12H2,1-4H3,(H,23,27)(H,24,28)