2-[[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[3-(1H-benzimidazol-2-yl)-1-oxopropyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O3S2/c1-13(26)28-10-11-29-21-25-17-7-6-14(12-18(17)30-21)22-20(27)9-8-19-23-15-4-2-3-5-16(15)24-19/h2-7,12H,8-11H2,1H3,(H,22,27)(H,23,24)