3-(acetamidomethylsulfanyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-(acetamidomethylsulfanyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(acetamidomethylsulfanyl)-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(acetamidomethylthio)-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(acetamidomethylsulfanyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-(acetamidomethylthio)-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C19H20N4O2S3 MolecularWeight: 432.5827

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

Isomeric SMILES

CC(=O)NCSCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

InChI

InChI=1S/C19H20N4O2S3/c1-13(24)21-12-26-8-6-18(25)22-15-4-5-16-17(9-15)28-19(23-16)27-11-14-3-2-7-20-10-14/h2-5,7,9-10H,6,8,11-12H2,1H3,(H,21,24)(H,22,25)