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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]acrylamide Formula: C20H19Cl2N3OS MolecularWeight: 420.35536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19Cl2N3OS/c21-15-9-6-14(7-10-15)8-11-18(26)24-20(27)23-17-5-3-4-16(22)19(17)25-12-1-2-13-25/h3-11H,1-2,12-13H2,(H2,23,24,26,27)