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

Systemtic Name: (2R)-4-(2-phenylsulfanylethanoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(2-phenylsulfanylacetyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[1-oxo-2-(phenylthio)ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(2-phenylsulfanylacetyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-(phenylthio)acetyl]-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)CSC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c1-2-12-21-20(24)18-13-22(16-10-6-7-11-17(16)25-18)19(23)14-26-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3,(H,21,24)/t18-/m1/s1