3-(acetamidomethylsulfanyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-(acetamidomethylsulfanyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(acetamidomethylsulfanyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(acetamidomethylthio)-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(acetamidomethylsulfanyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-(acetamidomethylthio)-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3OC

Isomeric SMILES

CC(=O)NCSCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O3S3/c1-14(25)22-13-28-10-9-20(26)23-16-7-8-17-19(11-16)30-21(24-17)29-12-15-5-3-4-6-18(15)27-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,25)(H,23,26)