3-butoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: 3-butoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 3-butoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide CAS Name: 3-butoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 3-butoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 3-butoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC=C4S3)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC=C4S3)OCC

InChI

InChI=1S/C27H35N3O4S/c1-3-5-17-34-22-10-6-9-21(20-22)26(31)30(14-8-13-29-15-18-32-19-16-29)27-28-25-23(33-4-2)11-7-12-24(25)35-27/h6-7,9-12,20H,3-5,8,13-19H2,1-2H3