(2R)-4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(4-morpholinosulfonylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[(4-morpholinosulfonylphenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CC(OC4=CC=CC=C43)C(=O)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3C[C@@H](OC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C20H22N4O5S2/c21-19(25)18-13-24(16-3-1-2-4-17(16)29-18)20(30)22-14-5-7-15(8-6-14)31(26,27)23-9-11-28-12-10-23/h1-8,18H,9-13H2,(H2,21,25)(H,22,30)/t18-/m1/s1