2-[(4-bromophenyl)amino]-4-methyl-N-[(4-nitrophenyl)methyl]-N-propyl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[(4-bromophenyl)amino]-4-methyl-N-[(4-nitrophenyl)methyl]-N-propyl-1,3-thiazole-5-carboxamide Openeye Name: 2-(4-bromoanilino)-4-methyl-N-[(4-nitrophenyl)methyl]-N-propyl-thiazole-5-carboxamide CAS Name: 2-(4-bromoanilino)-4-methyl-N-[(4-nitrophenyl)methyl]-N-propyl-5-thiazolecarboxamide IUPAC Name: 2-(4-bromoanilino)-4-methyl-N-[(4-nitrophenyl)methyl]-N-propyl-1,3-thiazole-5-carboxamide Traditional Name: 2-(4-bromoanilino)-4-methyl-N-(4-nitrobenzyl)-N-propyl-thiazole-5-carboxamide Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrN4O3S/c1-3-12-25(13-15-4-10-18(11-5-15)26(28)29)20(27)19-14(2)23-21(30-19)24-17-8-6-16(22)7-9-17/h4-11H,3,12-13H2,1-2H3,(H,23,24)