(E)-N-[4-oxidanylbutyl-(phenylmethyl)carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[4-oxidanylbutyl-(phenylmethyl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[benzyl(4-hydroxybutyl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-hydroxybutyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[benzyl(4-hydroxybutyl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[benzyl(4-hydroxybutyl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCCO)C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCCO)C(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O2S/c24-16-8-7-15-23(17-19-11-5-2-6-12-19)21(26)22-20(25)14-13-18-9-3-1-4-10-18/h1-6,9-14,24H,7-8,15-17H2,(H,22,25,26)/b14-13+