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

Systemtic Name: (E)-N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[N-(4-hydroxybutyl)-3-methoxyanilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-hydroxybutyl-(3-methoxyphenyl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CCCCO)C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC(=C1)N(CCCCO)C(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O3S/c1-26-19-11-7-10-18(16-19)23(14-5-6-15-24)21(27)22-20(25)13-12-17-8-3-2-4-9-17/h2-4,7-13,16,24H,5-6,14-15H2,1H3,(H,22,25,27)/b13-12+