5-methyl-2-(octylamino)-4-oxidanylidene-N-(3-phenylpropyl)thieno[2,3-d][1,3]oxazine-6-carboxamide

Systemtic Name: 5-methyl-2-(octylamino)-4-oxidanylidene-N-(3-phenylpropyl)thieno[2,3-d][1,3]oxazine-6-carboxamide Openeye Name: 5-methyl-2-(octylamino)-4-oxo-N-(3-phenylpropyl)thieno[2,3-d][1,3]oxazine-6-carboxamide CAS Name: 5-methyl-2-(octylamino)-4-oxo-N-(3-phenylpropyl)-6-thieno[2,3-d][1,3]oxazinecarboxamide IUPAC Name: 5-methyl-2-(octylamino)-4-oxo-N-(3-phenylpropyl)thieno[2,3-d][1,3]oxazine-6-carboxamide Traditional Name: 4-keto-5-methyl-2-(octylamino)-N-(3-phenylpropyl)thieno[2,3-d][1,3]oxazine-6-carboxamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)NCCCC3=CC=CC=C3)C)C(=O)O1

Isomeric SMILES

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)NCCCC3=CC=CC=C3)C)C(=O)O1

InChI

InChI=1S/C25H33N3O3S/c1-3-4-5-6-7-11-16-27-25-28-23-20(24(30)31-25)18(2)21(32-23)22(29)26-17-12-15-19-13-9-8-10-14-19/h8-10,13-14H,3-7,11-12,15-17H2,1-2H3,(H,26,29)(H,27,28)