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

Systemtic Name: 3-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide Openeye Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-(p-tolylsulfanyl)propanamide CAS Name: 3-[(4-methylphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]propanamide IUPAC Name: 3-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide Traditional Name: N-(4-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-(p-tolylthio)propionamide Formula: C24H29N3O4S3 MolecularWeight: 519.69976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C24H29N3O4S3/c1-18-6-8-19(9-7-18)32-17-10-22(28)27(12-11-26-13-15-31-16-14-26)24-25-23-20(33-24)4-3-5-21(23)34(2,29)30/h3-9H,10-17H2,1-2H3