N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide Formula: C20H17BrN2O2S3 MolecularWeight: 493.46018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C4SCCS4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C4SCCS4)Br

InChI

InChI=1S/C20H17BrN2O2S3/c1-25-17-7-6-14(10-15(17)21)16-11-28-20(22-16)23-18(24)12-2-4-13(5-3-12)19-26-8-9-27-19/h2-7,10-11,19H,8-9H2,1H3,(H,22,23,24)