N-(6-morpholin-4-ylcarbonyl-1,3-benzothiazol-2-yl)-N'-phenylmethoxy-octanediamide

Systemtic Name: N-(6-morpholin-4-ylcarbonyl-1,3-benzothiazol-2-yl)-N'-phenylmethoxy-octanediamide Openeye Name: N'-benzyloxy-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]octanediamide CAS Name: N-[6-[4-morpholinyl(oxo)methyl]-1,3-benzothiazol-2-yl]-N'-phenylmethoxyoctanediamide IUPAC Name: N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]-N'-phenylmethoxyoctanediamide Traditional Name: N'-benzoxy-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]suberamide Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCCCCCC(=O)NOCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCCCCCC(=O)NOCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O5S/c32-24(10-6-1-2-7-11-25(33)30-36-19-20-8-4-3-5-9-20)29-27-28-22-13-12-21(18-23(22)37-27)26(34)31-14-16-35-17-15-31/h3-5,8-9,12-13,18H,1-2,6-7,10-11,14-17,19H2,(H,30,33)(H,28,29,32)