1-[2-(1-benzofuran-2-ylcarbonyl)-3-pentyl-phenyl]thiourea

Systemtic Name: 1-[2-(1-benzofuran-2-ylcarbonyl)-3-pentyl-phenyl]thiourea Openeye Name: [2-(benzofuran-2-carbonyl)-3-pentyl-phenyl]thiourea CAS Name: [2-[2-benzofuranyl(oxo)methyl]-3-pentylphenyl]thiourea IUPAC Name: [2-(1-benzofuran-2-carbonyl)-3-pentylphenyl]thiourea Traditional Name: [3-amyl-2-(benzofuran-2-carbonyl)phenyl]thiourea Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=CC=C1)NC(=S)N)C(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCCCCC1=C(C(=CC=C1)NC(=S)N)C(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H22N2O2S/c1-2-3-4-8-14-10-7-11-16(23-21(22)26)19(14)20(24)18-13-15-9-5-6-12-17(15)25-18/h5-7,9-13H,2-4,8H2,1H3,(H3,22,23,26)