N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)OC

InChI

InChI=1S/C21H23N3O5S/c1-12(2)19(25)23-15-6-5-14(11-17(15)27-3)22-21(30)24-20(26)13-4-7-16-18(10-13)29-9-8-28-16/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)(H2,22,24,26,30)