[2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-iodanyl-5-thiomorpholin-4-yl-phenyl]carbamic acid

Systemtic Name: [2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-iodanyl-5-thiomorpholin-4-yl-phenyl]carbamic acid Openeye Name: [2-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]-4-iodo-5-thiomorpholino-phenyl]carbamic acid CAS Name: [2-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-4-iodo-5-thiomorpholin-4-ylphenyl]carbamic acid IUPAC Name: [2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-4-iodo-5-thiomorpholin-4-ylphenyl]carbamic acid Traditional Name: [2-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]-4-iodo-5-thiomorpholino-phenyl]carbamic acid Formula: C21H19IN4O4S MolecularWeight: 550.36943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=CC(=C(C=C2I)NC(=O)CC(=O)C3=CC=CC(=C3)C#N)NC(=O)O

Isomeric SMILES

C1CSCCN1C2=CC(=C(C=C2I)NC(=O)CC(=O)C3=CC=CC(=C3)C#N)NC(=O)O

InChI

InChI=1S/C21H19IN4O4S/c22-15-9-16(17(25-21(29)30)10-18(15)26-4-6-31-7-5-26)24-20(28)11-19(27)14-3-1-2-13(8-14)12-23/h1-3,8-10,25H,4-7,11H2,(H,24,28)(H,29,30)