2-(4-methylquinolin-2-yl)sulfanyl-N-[[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]-(3-nitrophenyl)methyl]ethanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]-(3-nitrophenyl)methyl]ethanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-[[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]-(3-nitrophenyl)methyl]acetamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-(3-nitrophenyl)methyl]acetamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-(3-nitrophenyl)methyl]acetamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-[[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]-(3-nitrophenyl)methyl]acetamide Formula: C31H27N5O4S2 MolecularWeight: 597.70718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)CSC4=NC5=CC=CC=C5C(=C4)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)CSC4=NC5=CC=CC=C5C(=C4)C

InChI

InChI=1S/C31H27N5O4S2/c1-19-14-29(32-25-12-5-3-10-23(19)25)41-17-27(37)34-31(21-8-7-9-22(16-21)36(39)40)35-28(38)18-42-30-15-20(2)24-11-4-6-13-26(24)33-30/h3-16,31H,17-18H2,1-2H3,(H,34,37)(H,35,38)