N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methoxy-4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(isobutyrylthiocarbamoylamino)-2-methoxy-phenyl]coumarilamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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