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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C)C

InChI

InChI=1S/C23H23N3O2S2/c1-13-9-15(3)22-17(10-13)14(2)11-21(26-22)29-8-7-20(27)25-23-24-18-6-5-16(28-4)12-19(18)30-23/h5-6,9-12H,7-8H2,1-4H3,(H,24,25,27)