3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide Openeye Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)propanamide CAS Name: 3-[(4-methoxyphenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(2-morpholinoethyl)propionamide Formula: C24H29N3O5S3 MolecularWeight: 535.69916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H29N3O5S3/c1-31-18-3-5-19(6-4-18)33-16-9-23(28)27(11-10-26-12-14-32-15-13-26)24-25-21-8-7-20(35(2,29)30)17-22(21)34-24/h3-8,17H,9-16H2,1-2H3