(E)-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(3-isopentyloxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(3-isoamoxyphenyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-15(2)12-13-28-19-5-3-4-17(14-19)22-21(29)23-20(25)11-8-16-6-9-18(10-7-16)24(26)27/h3-11,14-15H,12-13H2,1-2H3,(H2,22,23,25,29)/b11-8+