3-(3,4-dimethylphenyl)sulfanyl-N-[1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]propionamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC(C)C2=CC3=C(C=C2)OCC(=O)N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC(C)C2=CC3=C(C=C2)OCC(=O)N3)C

InChI

InChI=1S/C21H24N2O3S/c1-13-4-6-17(10-14(13)2)27-9-8-20(24)22-15(3)16-5-7-19-18(11-16)23-21(25)12-26-19/h4-7,10-11,15H,8-9,12H2,1-3H3,(H,22,24)(H,23,25)