N-(1,3-benzothiazol-2-yl)-2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4-anilino-6-morpholino-s-triazin-2-yl)thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C22H21N7O2S2 MolecularWeight: 479.57784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)NC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)NC5=CC=CC=C5

InChI

InChI=1S/C22H21N7O2S2/c30-18(25-22-24-16-8-4-5-9-17(16)33-22)14-32-21-27-19(23-15-6-2-1-3-7-15)26-20(28-21)29-10-12-31-13-11-29/h1-9H,10-14H2,(H,24,25,30)(H,23,26,27,28)