3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]acrylamide Formula: C27H18ClN3O3S MolecularWeight: 499.96812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H18ClN3O3S/c28-19-8-6-17(7-9-19)23-14-11-21(33-23)12-15-25(32)31-27(35)29-20-10-13-24-22(16-20)30-26(34-24)18-4-2-1-3-5-18/h1-16H,(H2,29,31,32,35)