(E)-3-(4-propan-2-ylphenyl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-propan-2-ylphenyl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-propan-2-ylphenyl)-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-propan-2-ylphenyl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-p-cumenyl-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]acrylamide Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C25H25N3OS/c1-18(2)22-8-3-19(4-9-22)7-12-24(29)28-25(30)27-23-10-5-20(6-11-23)17-21-13-15-26-16-14-21/h3-16,18H,17H2,1-2H3,(H2,27,28,29,30)/b12-7+