(E)-3-(4-propan-2-ylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-propan-2-ylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-propan-2-ylphenyl)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-propan-2-ylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-p-cumenyl-N-[(2-pyrrolidinophenyl)thiocarbamoyl]acrylamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C23H27N3OS/c1-17(2)19-12-9-18(10-13-19)11-14-22(27)25-23(28)24-20-7-3-4-8-21(20)26-15-5-6-16-26/h3-4,7-14,17H,5-6,15-16H2,1-2H3,(H2,24,25,27,28)/b14-11+