2-[[6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[[6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[6-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[6-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[6-[(4,6-dimorpholino-s-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]thio]-N-(p-tolyl)acetamide Formula: C27H30N8O3S2 MolecularWeight: 578.7089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6

InChI

InChI=1S/C27H30N8O3S2/c1-18-2-4-19(5-3-18)28-23(36)17-39-27-30-21-7-6-20(16-22(21)40-27)29-24-31-25(34-8-12-37-13-9-34)33-26(32-24)35-10-14-38-15-11-35/h2-7,16H,8-15,17H2,1H3,(H,28,36)(H,29,31,32,33)