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

Systemtic Name: (E)-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3OS/c21-17-14-16(9-10-18(17)24-12-4-5-13-24)22-20(26)23-19(25)11-8-15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H2,22,23,25,26)/b11-8+