N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]coumarilamide Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H23N3O3S/c1-16(2)19-11-12-23-21(13-19)29-26(33-23)18-9-7-17(8-10-18)15-28-27(34)30-25(31)24-14-20-5-3-4-6-22(20)32-24/h3-14,16H,15H2,1-2H3,(H2,28,30,31,34)