N-[5-azanyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]-4-bromanyl-benzamide

Systemtic Name: N-[5-azanyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]-4-bromanyl-benzamide Openeye Name: N-[5-amino-3-oxo-4-[4-(p-tolyl)thiazol-2-yl]-2H-pyrrol-1-yl]-4-bromo-benzamide CAS Name: N-[5-amino-4-[4-(4-methylphenyl)-2-thiazolyl]-3-oxo-2H-pyrrol-1-yl]-4-bromobenzamide IUPAC Name: N-[5-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]-4-bromobenzamide Traditional Name: N-[2-amino-4-keto-3-[4-(p-tolyl)thiazol-2-yl]-2-pyrrolin-1-yl]-4-bromo-benzamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)NC(=O)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)NC(=O)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C21H17BrN4O2S/c1-12-2-4-13(5-3-12)16-11-29-21(24-16)18-17(27)10-26(19(18)23)25-20(28)14-6-8-15(22)9-7-14/h2-9,11H,10,23H2,1H3,(H,25,28)