N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-[(4-methyl-2-quinolyl)thio]propionamide Formula: C26H21N3OS2 MolecularWeight: 455.59444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H21N3OS2/c1-17-16-25(28-21-7-3-2-6-20(17)21)31-15-14-24(30)27-19-12-10-18(11-13-19)26-29-22-8-4-5-9-23(22)32-26/h2-13,16H,14-15H2,1H3,(H,27,30)