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

Systemtic Name: N-(4-chlorophenyl)-2-[1-oxidanylidene-1-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-1-methyl-2-oxo-ethyl]sulfanyl-N-(4-chlorophenyl)acetamide CAS Name: N-(4-chlorophenyl)-2-[[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfanylacetamide Traditional Name: 2-[[2-(4-allyl-3-keto-1,4-benzoxazin-6-yl)-2-keto-1-methyl-ethyl]thio]-N-(4-chlorophenyl)acetamide Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC=C)SCC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC=C)SCC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-3-10-25-18-11-15(4-9-19(18)29-12-21(25)27)22(28)14(2)30-13-20(26)24-17-7-5-16(23)6-8-17/h3-9,11,14H,1,10,12-13H2,2H3,(H,24,26)