(2R)-4-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(3,4-dimethylphenyl)sulfanylacetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(3,4-dimethylphenyl)sulfanylacetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-[(3,4-dimethylphenyl)thio]acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=CC(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-4-11-23-22(26)20-13-24(18-7-5-6-8-19(18)27-20)21(25)14-28-17-10-9-15(2)16(3)12-17/h5-10,12,20H,4,11,13-14H2,1-3H3,(H,23,26)/t20-/m1/s1