2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]acetamide CAS Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(3-pyridinylmethylthio)phenyl]acetamide IUPAC Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide Traditional Name: 2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)-N-[4-(3-pyridylmethylthio)phenyl]acetamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H18ClN3O3S/c23-16-3-8-20-19(10-16)26(22(28)13-29-20)12-21(27)25-17-4-6-18(7-5-17)30-14-15-2-1-9-24-11-15/h1-11H,12-14H2,(H,25,27)