N-[2-methoxy-4-[(3-methylphenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methoxy-4-[(3-methylphenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methoxy-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methoxy-4-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methoxy-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methoxy-4-(m-toluoylthiocarbamoylamino)phenyl]coumarilamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC

InChI

InChI=1S/C25H21N3O4S/c1-15-6-5-8-17(12-15)23(29)28-25(33)26-18-10-11-19(21(14-18)31-2)27-24(30)22-13-16-7-3-4-9-20(16)32-22/h3-14H,1-2H3,(H,27,30)(H2,26,28,29,33)