3-(acetamidomethylsulfanyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-(acetamidomethylsulfanyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(acetamidomethylsulfanyl)-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(acetamidomethylthio)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(acetamidomethylsulfanyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-(acetamidomethylthio)-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C18H25N3O2S4 MolecularWeight: 443.67

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCSCNC(=O)C

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCSCNC(=O)C

InChI

InChI=1S/C18H25N3O2S4/c1-12(2)25-8-9-26-18-21-15-5-4-14(10-16(15)27-18)20-17(23)6-7-24-11-19-13(3)22/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,22)(H,20,23)