(E)-3-(4-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]prop-2-enamide Openeye Name: (E)-N-[(4-isopropoxyphenyl)methylcarbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(4-isopropoxybenzyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-14(2)27-18-10-5-16(6-11-18)13-21-20(28)22-19(24)12-7-15-3-8-17(9-4-15)23(25)26/h3-12,14H,13H2,1-2H3,(H2,21,22,24,28)/b12-7+