N-[2-methyl-4-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methyl-4-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(3-isopropoxybenzoyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(3-isopropoxybenzoyl)thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4S/c1-16(2)33-21-9-6-8-19(14-21)25(31)30-27(35)28-20-11-12-22(17(3)13-20)29-26(32)24-15-18-7-4-5-10-23(18)34-24/h4-16H,1-3H3,(H,29,32)(H2,28,30,31,35)