N,N'-bis(6-methyl-1,3-benzothiazol-2-yl)hexanediamide

Systemtic Name: N,N'-bis(6-methyl-1,3-benzothiazol-2-yl)hexanediamide Openeye Name: N,N'-bis(6-methyl-1,3-benzothiazol-2-yl)hexanediamide CAS Name: N,N'-bis(6-methyl-1,3-benzothiazol-2-yl)hexanediamide IUPAC Name: N,N'-bis(6-methyl-1,3-benzothiazol-2-yl)hexanediamide Traditional Name: N,N'-bis(6-methyl-1,3-benzothiazol-2-yl)adipamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCC(=O)NC3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCC(=O)NC3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C22H22N4O2S2/c1-13-7-9-15-17(11-13)29-21(23-15)25-19(27)5-3-4-6-20(28)26-22-24-16-10-8-14(2)12-18(16)30-22/h7-12H,3-6H2,1-2H3,(H,23,25,27)(H,24,26,28)