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

Systemtic Name: N-[4-[[3-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-4-[[3-[(1S)-1-methylpropoxy]benzoyl]carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[[3-[(2S)-butan-2-yl]oxyphenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[[3-[(2S)-butan-2-yl]oxybenzoyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-[[3-[(1S)-1-methylpropoxy]benzoyl]thiocarbamoylamino]phenyl]coumarilamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O4S/c1-4-18(3)34-22-10-7-9-20(15-22)26(32)31-28(36)29-21-12-13-23(17(2)14-21)30-27(33)25-16-19-8-5-6-11-24(19)35-25/h5-16,18H,4H2,1-3H3,(H,30,33)(H2,29,31,32,36)/t18-/m0/s1