N-[[4-[[butyl(pentyl)amino]methyl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-[[butyl(pentyl)amino]methyl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-[[butyl(pentyl)amino]methyl]phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-[[butyl(pentyl)amino]methyl]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-[[butyl(pentyl)amino]methyl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-[[amyl(butyl)amino]methyl]phenyl]thiocarbamoyl]coumarilamide Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCCCCN(CCCC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C26H33N3O2S/c1-3-5-9-17-29(16-6-4-2)19-20-12-14-22(15-13-20)27-26(32)28-25(30)24-18-21-10-7-8-11-23(21)31-24/h7-8,10-15,18H,3-6,9,16-17,19H2,1-2H3,(H2,27,28,30,32)