N-[3-[[4-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-[[4-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[[4-[(1S)-1-methylpropoxy]benzoyl]carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-[[[[[4-[(2S)-butan-2-yl]oxyphenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[[4-[(2S)-butan-2-yl]oxybenzoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[[4-[(1S)-1-methylpropoxy]benzoyl]thiocarbamoylamino]phenyl]coumarilamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H25N3O4S/c1-3-17(2)33-22-13-11-18(12-14-22)25(31)30-27(35)29-21-9-6-8-20(16-21)28-26(32)24-15-19-7-4-5-10-23(19)34-24/h4-17H,3H2,1-2H3,(H,28,32)(H2,29,30,31,35)/t17-/m0/s1