3-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)propanamide CAS Name: 3-[(4-methoxyphenyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: 3-[(4-methoxyphenyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)propionamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N3O3S2/c1-19-4-9-22-23(18-19)33-25(26-22)28(12-3-11-27-13-15-31-16-14-27)24(29)10-17-32-21-7-5-20(30-2)6-8-21/h4-9,18H,3,10-17H2,1-2H3