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

Systemtic Name: (E)-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Openeye Name: (E)-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]-3-(5-phenyl-2-furyl)prop-2-enamide CAS Name: (E)-N-[(4-methyl-2-nitroanilino)-sulfanylidenemethyl]-3-(5-phenyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[(4-methyl-2-nitrophenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[(4-methyl-2-nitro-phenyl)thiocarbamoyl]-3-(5-phenyl-2-furyl)acrylamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c1-14-7-10-17(18(13-14)24(26)27)22-21(29)23-20(25)12-9-16-8-11-19(28-16)15-5-3-2-4-6-15/h2-13H,1H3,(H2,22,23,25,29)/b12-9+