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

Systemtic Name: 3-(2-methylimidazol-1-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide CAS Name: 3-(2-methyl-1-imidazolyl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(2-methylimidazol-1-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propionamide Formula: C19H24N4OS3 MolecularWeight: 420.61506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

Isomeric SMILES

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

InChI

InChI=1S/C19H24N4OS3/c1-13(2)25-10-11-26-19-22-16-5-4-15(12-17(16)27-19)21-18(24)6-8-23-9-7-20-14(23)3/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3,(H,21,24)