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

Systemtic Name: 2-[(4-bromophenyl)amino]-N-[(3,5-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide Openeye Name: 2-(4-bromoanilino)-N-[(3,5-dimethoxyphenyl)methyl]-4-phenyl-thiazole-5-carboxamide CAS Name: 2-(4-bromoanilino)-N-[(3,5-dimethoxyphenyl)methyl]-4-phenyl-5-thiazolecarboxamide IUPAC Name: 2-(4-bromoanilino)-N-[(3,5-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide Traditional Name: 2-(4-bromoanilino)-N-(3,5-dimethoxybenzyl)-4-phenyl-thiazole-5-carboxamide Formula: C25H22BrN3O3S MolecularWeight: 524.42948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Br)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Br)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H22BrN3O3S/c1-31-20-12-16(13-21(14-20)32-2)15-27-24(30)23-22(17-6-4-3-5-7-17)29-25(33-23)28-19-10-8-18(26)9-11-19/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29)