N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]coumarilamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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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=CC=CC=C3O2)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)OC

InChI

InChI=1S/C21H21N3O4S/c1-12(2)19(25)23-15-9-8-14(11-17(15)27-3)22-21(29)24-20(26)18-10-13-6-4-5-7-16(13)28-18/h4-12H,1-3H3,(H,23,25)(H2,22,24,26,29)