N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C23H23N3OS2 MolecularWeight: 421.57822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

InChI=1S/C23H23N3OS2/c1-12-6-7-18-19(10-12)29-23(24-18)26-22(27)16(5)28-20-11-14(3)17-9-13(2)8-15(4)21(17)25-20/h6-11,16H,1-5H3,(H,24,26,27)