[5-(1,3-benzothiazol-2-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-(1,3-benzothiazol-2-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-(1,3-benzothiazol-2-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [5-(1,3-benzothiazol-2-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-(1,3-benzothiazol-2-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-(1,3-benzothiazol-2-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

CN1C2=C(CC(CC2)NCC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C21H25N5OS2/c1-25-17-7-6-14(22-13-19-23-16-4-2-3-5-18(16)29-19)12-15(17)20(24-25)21(27)26-8-10-28-11-9-26/h2-5,14,22H,6-13H2,1H3