N-(4-chlorophenyl)-2-[2-oxidanylidene-2-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[2-oxidanylidene-2-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-ethyl]sulfanyl-N-(4-chlorophenyl)acetamide CAS Name: N-(4-chlorophenyl)-2-[[2-oxo-2-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]sulfanylacetamide Traditional Name: 2-[[2-(4-allyl-3-keto-1,4-benzoxazin-6-yl)-2-keto-ethyl]thio]-N-(4-chlorophenyl)acetamide Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)COC2=C1C=C(C=C2)C(=O)CSCC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=O)COC2=C1C=C(C=C2)C(=O)CSCC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-2-9-24-17-10-14(3-8-19(17)28-11-21(24)27)18(25)12-29-13-20(26)23-16-6-4-15(22)5-7-16/h2-8,10H,1,9,11-13H2,(H,23,26)