2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N3O4S3/c1-14-7-8-16(13-19(14)31(26,27)24-9-11-28-12-10-24)22-20(25)15(2)29-21-23-17-5-3-4-6-18(17)30-21/h3-8,13,15H,9-12H2,1-2H3,(H,22,25)