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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[(2-pyrrolidinophenyl)thiocarbamoyl]acrylamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O3S/c21-15-9-7-14(13-18(15)25(27)28)8-10-19(26)23-20(29)22-16-5-1-2-6-17(16)24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12H2,(H2,22,23,26,29)/b10-8+