3-(acetamidomethylsulfanyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-(acetamidomethylsulfanyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(acetamidomethylsulfanyl)-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(acetamidomethylthio)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(acetamidomethylsulfanyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-(acetamidomethylthio)-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C19H21N3O2S4 MolecularWeight: 451.64894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3

Isomeric SMILES

CC(=O)NCSCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3

InChI

InChI=1S/C19H21N3O2S4/c1-13(23)20-12-26-8-6-18(24)21-15-2-3-16-17(10-15)28-19(22-16)27-9-5-14-4-7-25-11-14/h2-4,7,10-11H,5-6,8-9,12H2,1H3,(H,20,23)(H,21,24)