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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=CC(=C2)N(C(=O)O)NC(=O)CC(=O)C3=CC=CC(=C3)C#N)I

Isomeric SMILES

C1CSCCN1C2=C(C=CC(=C2)N(C(=O)O)NC(=O)CC(=O)C3=CC=CC(=C3)C#N)I

InChI

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