N-(6-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 4-esyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)CC

InChI

InChI=1S/C25H31N3O4S2/c1-3-19-6-11-22-23(18-19)33-25(26-22)28(13-5-12-27-14-16-32-17-15-27)24(29)20-7-9-21(10-8-20)34(30,31)4-2/h6-11,18H,3-5,12-17H2,1-2H3