N-(1,3-benzothiazol-2-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H22N6O2S2 MolecularWeight: 466.57908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C22H22N6O2S2/c1-15(19(29)24-20-23-17-9-5-6-10-18(17)32-20)31-22-26-25-21(27-11-13-30-14-12-27)28(22)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,23,24,29)