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

Systemtic Name: 2-[[(4-bromophenyl)carbonyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-bromobenzoyl)-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide CAS Name: 2-[[[(4-bromophenyl)-oxomethyl]-propan-2-ylamino]methyl]-N-propan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-bromobenzoyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-bromobenzoyl)-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O2S/c1-11(2)20-17(23)15-10-25-16(21-15)9-22(12(3)4)18(24)13-5-7-14(19)8-6-13/h5-8,10-12H,9H2,1-4H3,(H,20,23)