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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(8-methoxy-4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(8-methoxy-4-methyl-2-quinolyl)thio]propionamide Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O2S2/c1-12-10-19(25-20-14(12)4-3-5-16(20)27-2)28-9-8-18(26)24-21-23-15-7-6-13(22)11-17(15)29-21/h3-7,10-11H,8-9H2,1-2H3,(H,23,24,26)