2-(1,3-benzothiazol-6-ylamino)-6-(2-phenylthiomorpholin-4-yl)-1H-1,3,5-triazin-4-one

Systemtic Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-phenylthiomorpholin-4-yl)-1H-1,3,5-triazin-4-one Openeye Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-phenylthiomorpholin-4-yl)-1H-1,3,5-triazin-4-one CAS Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-phenyl-4-thiomorpholinyl)-1H-1,3,5-triazin-4-one IUPAC Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-phenylthiomorpholin-4-yl)-1H-1,3,5-triazin-4-one Traditional Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-phenylthiomorpholin-4-yl)-1H-s-triazin-4-one Formula: C20H18N6OS2 MolecularWeight: 422.52652

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CN1C2=NC(=O)N=C(N2)NC3=CC4=C(C=C3)N=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CSC(CN1C2=NC(=O)N=C(N2)NC3=CC4=C(C=C3)N=CS4)C5=CC=CC=C5

InChI

InChI=1S/C20H18N6OS2/c27-20-24-18(22-14-6-7-15-16(10-14)29-12-21-15)23-19(25-20)26-8-9-28-17(11-26)13-4-2-1-3-5-13/h1-7,10,12,17H,8-9,11H2,(H2,22,23,24,25,27)