2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide CAS Name: 2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C20H27N5OS3 MolecularWeight: 449.65628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC3=CN=CN3)N(C)C

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC3=CN=CN3)N(C)C

InChI

InChI=1S/C20H27N5OS3/c1-13(2)27-7-8-28-20-24-16-6-5-14(10-18(16)29-20)23-19(26)17(25(3)4)9-15-11-21-12-22-15/h5-6,10-13,17H,7-9H2,1-4H3,(H,21,22)(H,23,26)