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

Systemtic Name: 2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-[(4-nitrophenyl)methyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-[(4-nitrophenyl)methyl]thiazole-5-carboxamide CAS Name: 2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-[(4-nitrophenyl)methyl]-5-thiazolecarboxamide IUPAC Name: 2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-[(4-nitrophenyl)methyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-acetamido-4-[2-(4-aminophenyl)ethyl]-N-(4-nitrobenzyl)thiazole-5-carboxamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(S1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC=C(C=C3)N

Isomeric SMILES

CC(=O)NC1=NC(=C(S1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC=C(C=C3)N

InChI

InChI=1S/C21H21N5O4S/c1-13(27)24-21-25-18(11-6-14-2-7-16(22)8-3-14)19(31-21)20(28)23-12-15-4-9-17(10-5-15)26(29)30/h2-5,7-10H,6,11-12,22H2,1H3,(H,23,28)(H,24,25,27)