(E)-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Openeye Name: (E)-N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-3-(5-phenyl-2-furyl)prop-2-enamide CAS Name: (E)-N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-3-(5-phenyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-3-(5-phenyl-2-furyl)acrylamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4S/c1-13-11-18(25(27)28)16(22)12-17(13)23-21(30)24-20(26)10-8-15-7-9-19(29-15)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,26,30)/b10-8+