(E)-3-phenyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-3-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]acrylamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c25-19(13-8-16-6-2-1-3-7-16)23-21(27)22-18-11-9-17(10-12-18)20(26)24-14-4-5-15-24/h1-3,6-13H,4-5,14-15H2,(H2,22,23,25,27)/b13-8+