3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(morpholinomethyl)phenyl]methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[[4-(4-morpholinylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-(morpholinomethyl)benzyl]propionamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)CNC(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)CNC(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S2/c26-21(9-14-28-22-24-19-3-1-2-4-20(19)29-22)23-15-17-5-7-18(8-6-17)16-25-10-12-27-13-11-25/h1-8H,9-16H2,(H,23,26)