2-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide CAS Name: 2-[[[(4-tert-butylphenyl)-oxomethyl]-propan-2-ylamino]methyl]-N-propan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-tert-butylbenzoyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)NC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H31N3O2S/c1-14(2)23-20(26)18-13-28-19(24-18)12-25(15(3)4)21(27)16-8-10-17(11-9-16)22(5,6)7/h8-11,13-15H,12H2,1-7H3,(H,23,26)