3-nitro-N-[(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)carbothioyl]benzamide

Systemtic Name: 3-nitro-N-[(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)carbothioyl]benzamide Openeye Name: 3-nitro-N-(2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioyl)benzamide CAS Name: 3-nitro-N-[sulfanylidene-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methyl]benzamide IUPAC Name: 3-nitro-N-(2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioyl)benzamide Traditional Name: 3-nitro-N-(2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioyl)benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])(C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O3S/c1-25(2)17-26(3,19-11-5-4-6-12-19)21-14-7-8-15-22(21)28(25)24(33)27-23(30)18-10-9-13-20(16-18)29(31)32/h4-16H,17H2,1-3H3,(H,27,30,33)