N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-thiazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H24N4O3S/c1-16-14-21(18(3)28(16)13-12-19-8-5-4-6-9-19)22-15-33-25(26-22)27-24(30)20-10-7-11-23(17(20)2)29(31)32/h4-11,14-15H,12-13H2,1-3H3,(H,26,27,30)