2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-[(4-methylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-[(4-methylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-[(4-methylsulfonylphenyl)methyl]thiazole-5-carboxamide CAS Name: 2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-[(4-methylsulfonylphenyl)methyl]-5-thiazolecarboxamide IUPAC Name: 2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-[(4-methylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-(4-mesylbenzyl)thiazole-5-carboxamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(S1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)C)CCC3=CC=C(C=C3)N

Isomeric SMILES

CC(=O)NC1=NC(=C(S1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)C)CCC3=CC=C(C=C3)N

InChI

InChI=1S/C22H24N4O4S2/c1-14(27)25-22-26-19(12-7-15-3-8-17(23)9-4-15)20(31-22)21(28)24-13-16-5-10-18(11-6-16)32(2,29)30/h3-6,8-11H,7,12-13,23H2,1-2H3,(H,24,28)(H,25,26,27)