3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-phenylsulfanylpropyl)propanamide

Systemtic Name: 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-phenylsulfanylpropyl)propanamide Openeye Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-phenylsulfanylpropyl)propanamide CAS Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[3-(phenylthio)propyl]propanamide IUPAC Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-phenylsulfanylpropyl)propanamide Traditional Name: 3-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]-N-[3-(phenylthio)propyl]propionamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-16-21(25)23(18-10-5-6-11-19(18)26-16)14-12-20(24)22-13-7-15-27-17-8-3-2-4-9-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,22,24)/t16-/m0/s1