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

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[(4-isopropoxyphenyl)methylcarbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[(4-isopropoxybenzyl)thiocarbamoyl]acrylamide Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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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)Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O2S/c1-14(2)25-18-10-5-16(6-11-18)13-22-20(26)23-19(24)12-7-15-3-8-17(21)9-4-15/h3-12,14H,13H2,1-2H3,(H2,22,23,24,26)/b12-7+