3-butoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: 3-butoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 3-butoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide CAS Name: 3-butoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 3-butoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 3-butoxy-N-(6-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(S3)C=C(C=C4)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)OCC

InChI

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