3-(acetamidomethylsulfanyl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-(acetamidomethylsulfanyl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(acetamidomethylsulfanyl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(acetamidomethylthio)-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(acetamidomethylsulfanyl)-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-(acetamidomethylthio)-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C19H27N3O3S3 MolecularWeight: 441.63098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC(C)(C)OC

Isomeric SMILES

CC(=O)NCSCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC(C)(C)OC

InChI

InChI=1S/C19H27N3O3S3/c1-13(23)20-12-26-9-7-17(24)21-14-5-6-15-16(11-14)28-18(22-15)27-10-8-19(2,3)25-4/h5-6,11H,7-10,12H2,1-4H3,(H,20,23)(H,21,24)