N-[3-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[(3-sec-butoxybenzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-[[[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[(3-sec-butoxybenzoyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

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