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

Systemtic Name: 5-methyl-N,N-dioctyl-2-(octylamino)-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxamide Openeye Name: 5-methyl-N,N-dioctyl-2-(octylamino)-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxamide CAS Name: 5-methyl-N,N-dioctyl-2-(octylamino)-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxamide IUPAC Name: 5-methyl-N,N-dioctyl-2-(octylamino)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide Traditional Name: 4-keto-5-methyl-N,N-dioctyl-2-(octylamino)thieno[2,3-d][1,3]oxazine-6-carboxamide Formula: C32H55N3O3S MolecularWeight: 561.8624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)N(CCCCCCCC)CCCCCCCC)C)C(=O)O1

Isomeric SMILES

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)N(CCCCCCCC)CCCCCCCC)C)C(=O)O1

InChI

InChI=1S/C32H55N3O3S/c1-5-8-11-14-17-20-23-33-32-34-29-27(31(37)38-32)26(4)28(39-29)30(36)35(24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3,(H,33,34)