N-[2-(phenylmethylsulfanyl)ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(phenylmethyl)sulfonyl-N-[2-(phenylmethylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-(benzylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S2/c28-25(26-15-16-32-18-20-9-3-1-4-10-20)24-17-27(22-13-7-8-14-23(22)31-24)33(29,30)19-21-11-5-2-6-12-21/h1-14,24H,15-19H2,(H,26,28)