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

Systemtic Name: (E)-N-[cyclohexyl(4-oxidanylbutyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[cyclohexyl(4-hydroxybutyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[cyclohexyl(4-hydroxybutyl)amino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[cyclohexyl(4-hydroxybutyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[cyclohexyl(4-hydroxybutyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)N(CCCCO)C2CCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(CCCCO)C2CCCCC2

InChI

InChI=1S/C21H30N2O3S/c1-26-19-12-9-17(10-13-19)11-14-20(25)22-21(27)23(15-5-6-16-24)18-7-3-2-4-8-18/h9-14,18,24H,2-8,15-16H2,1H3,(H,22,25,27)/b14-11+