2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-morpholinosulfonylphenyl)propionamide Formula: C20H21N3O4S3 MolecularWeight: 463.59344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O4S3/c1-14(28-20-22-17-4-2-3-5-18(17)29-20)19(24)21-15-6-8-16(9-7-15)30(25,26)23-10-12-27-13-11-23/h2-9,14H,10-13H2,1H3,(H,21,24)