3-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-4H-1,4-benzoxazine-7-carboxamide

Systemtic Name: 3-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-4H-1,4-benzoxazine-7-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide CAS Name: 3-oxo-N-[2-(prop-2-enylthio)phenyl]-4H-1,4-benzoxazine-7-carboxamide IUPAC Name: 3-oxo-N-(2-prop-2-enylsulfanylphenyl)-4H-1,4-benzoxazine-7-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-3-keto-4H-1,4-benzoxazine-7-carboxamide Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)NC(=O)CO3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)NC(=O)CO3

InChI

InChI=1S/C18H16N2O3S/c1-2-9-24-16-6-4-3-5-14(16)20-18(22)12-7-8-13-15(10-12)23-11-17(21)19-13/h2-8,10H,1,9,11H2,(H,19,21)(H,20,22)