(2R)-4-(4-methylsulfanylphenyl)carbonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-(4-methylsulfanylphenyl)carbonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(4-methylsulfanylbenzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[4-(methylthio)phenyl]-oxomethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(4-methylsulfanylbenzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[4-(methylthio)benzoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H22N2O3S/c1-3-12-21-19(23)18-13-22(16-6-4-5-7-17(16)25-18)20(24)14-8-10-15(26-2)11-9-14/h4-11,18H,3,12-13H2,1-2H3,(H,21,23)/t18-/m1/s1