3-(4-methylquinolin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-(4-methylquinolin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-[(4-methyl-2-quinolyl)sulfanyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide CAS Name: 3-[(4-methyl-2-quinolinyl)thio]-N-[4-(3-nitrophenyl)-2-thiazolyl]propanamide IUPAC Name: 3-(4-methylquinolin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-[(4-methyl-2-quinolyl)thio]-N-[4-(3-nitrophenyl)thiazol-2-yl]propionamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S2/c1-14-11-21(23-18-8-3-2-7-17(14)18)30-10-9-20(27)25-22-24-19(13-31-22)15-5-4-6-16(12-15)26(28)29/h2-8,11-13H,9-10H2,1H3,(H,24,25,27)