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

Systemtic Name: (E)-N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[N-(4-hydroxybutyl)-2,4-dimethylanilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CCCCO)C(=S)NC(=O)C=CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CCCCO)C(=S)NC(=O)/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C22H26N2O2S/c1-17-10-12-20(18(2)16-17)24(14-6-7-15-25)22(27)23-21(26)13-11-19-8-4-3-5-9-19/h3-5,8-13,16,25H,6-7,14-15H2,1-2H3,(H,23,26,27)/b13-11+