N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-butoxy-benzamide

Systemtic Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-butoxy-benzamide Openeye Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-butoxy-benzamide CAS Name: N-[2-(1H-benzimidazol-2-ylmethylthio)-1,3-benzothiazol-6-yl]-4-butoxybenzamide IUPAC Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-4-butoxybenzamide Traditional Name: N-[2-(1H-benzimidazol-2-ylmethylthio)-1,3-benzothiazol-6-yl]-4-butoxy-benzamide Formula: C26H24N4O2S2 MolecularWeight: 488.62436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H24N4O2S2/c1-2-3-14-32-19-11-8-17(9-12-19)25(31)27-18-10-13-22-23(15-18)34-26(30-22)33-16-24-28-20-6-4-5-7-21(20)29-24/h4-13,15H,2-3,14,16H2,1H3,(H,27,31)(H,28,29)