N-[2-[2-(4-methanethioylcyclohexyl)butoxy]-4-oxidanylidene-3,1-benzoxazin-7-yl]ethanamide

Systemtic Name: N-[2-[2-(4-methanethioylcyclohexyl)butoxy]-4-oxidanylidene-3,1-benzoxazin-7-yl]ethanamide Openeye Name: N-[2-[2-(4-methanethioylcyclohexyl)butoxy]-4-oxo-3,1-benzoxazin-7-yl]acetamide CAS Name: N-[2-[2-(4-methanethioylcyclohexyl)butoxy]-4-oxo-3,1-benzoxazin-7-yl]acetamide IUPAC Name: N-[2-[2-(4-methanethioylcyclohexyl)butoxy]-4-oxo-3,1-benzoxazin-7-yl]acetamide Traditional Name: N-[4-keto-2-[2-(4-thioformylcyclohexyl)butoxy]-3,1-benzoxazin-7-yl]acetamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=NC2=C(C=CC(=C2)NC(=O)C)C(=O)O1)C3CCC(CC3)C=S

Isomeric SMILES

CCC(COC1=NC2=C(C=CC(=C2)NC(=O)C)C(=O)O1)C3CCC(CC3)C=S

InChI

InChI=1S/C21H26N2O4S/c1-3-15(16-6-4-14(12-28)5-7-16)11-26-21-23-19-10-17(22-13(2)24)8-9-18(19)20(25)27-21/h8-10,12,14-16H,3-7,11H2,1-2H3,(H,22,24)