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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C22H21N3OS2/c1-12-9-14(3)20-16(10-12)13(2)11-19(24-20)27-15(4)21(26)25-22-23-17-7-5-6-8-18(17)28-22/h5-11,15H,1-4H3,(H,23,25,26)