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

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[[[2-(2-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acrylamide Formula: C31H20ClN3O3S MolecularWeight: 550.0268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C=CC5=CC=C(O5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C=CC5=CC=C(O5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C31H20ClN3O3S/c32-23-9-7-20(8-10-23)27-15-12-25(37-27)13-16-29(36)35-31(39)33-24-11-14-28-26(18-24)34-30(38-28)22-6-5-19-3-1-2-4-21(19)17-22/h1-18H,(H2,33,35,36,39)