2-[[6-[6-(5-methyl-2-oxidanylidene-imidazolidin-4-yl)hexanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[6-(5-methyl-2-oxidanylidene-imidazolidin-4-yl)hexanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[6-(5-methyl-2-oxo-imidazolidin-4-yl)hexanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[6-(5-methyl-2-oxo-4-imidazolidinyl)-1-oxohexyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[6-(2-keto-5-methyl-imidazolidin-4-yl)hexanoylamino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(=O)N1)CCCCCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C

Isomeric SMILES

CC1C(NC(=O)N1)CCCCCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C

InChI

InChI=1S/C21H28N4O4S2/c1-13-16(24-20(28)22-13)6-4-3-5-7-19(27)23-15-8-9-17-18(12-15)31-21(25-17)30-11-10-29-14(2)26/h8-9,12-13,16H,3-7,10-11H2,1-2H3,(H,23,27)(H2,22,24,28)